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N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-2-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
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ChemBase ID:
321376
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Molecular Formular:
C18H19N5O2
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Molecular Mass:
337.37576
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Monoisotopic Mass:
337.15387487
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SMILES and InChIs
SMILES:
n12c(=O)c(C(=O)NC(C3CC3)c3nccc(c3)C)c[nH]c1cc(n2)C
Canonical SMILES:
Cc1ccnc(c1)C(C1CC1)NC(=O)c1c[nH]c2n(c1=O)nc(c2)C
InChI:
InChI=1S/C18H19N5O2/c1-10-5-6-19-14(7-10)16(12-3-4-12)21-17(24)13-9-20-15-8-11(2)22-23(15)18(13)25/h5-9,12,16,20H,3-4H2,1-2H3,(H,21,24)
InChIKey:
CPAHXMSLVFXUNZ-UHFFFAOYSA-N
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Cite this record
CBID:321376 http://www.chembase.cn/molecule-321376.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-2-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
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IUPAC Traditional name
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N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-2-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
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Synonyms
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N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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10.874246
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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1.2592765
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LogD (pH = 7.4)
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1.333953
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Log P
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1.3351408
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Molar Refractivity
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92.8736 cm3
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Polarizability
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34.81116 Å3
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Polar Surface Area
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88.91 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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2
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Log P
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-0.07
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LOG S
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-1.61
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Polar Surface Area
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92.15 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent