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N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
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ChemBase ID:
320050
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Molecular Formular:
C15H15N5O2
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Molecular Mass:
297.3119
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Monoisotopic Mass:
297.12257475
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SMILES and InChIs
SMILES:
n12c(C(=O)NCCc3[nH]c(=O)cc(n3)C)cccc1ccn2
Canonical SMILES:
Cc1cc(=O)[nH]c(n1)CCNC(=O)c1cccc2n1ncc2
InChI:
InChI=1S/C15H15N5O2/c1-10-9-14(21)19-13(18-10)6-7-16-15(22)12-4-2-3-11-5-8-17-20(11)12/h2-5,8-9H,6-7H2,1H3,(H,16,22)(H,18,19,21)
InChIKey:
KOZDAJGFGLHVBD-UHFFFAOYSA-N
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Cite this record
CBID:320050 http://www.chembase.cn/molecule-320050.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
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IUPAC Traditional name
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N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
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Synonyms
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N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyridine-7-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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9.247031
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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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LogD (pH = 5.5)
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0.1286953
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LogD (pH = 7.4)
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0.123400815
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Log P
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0.128831
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Molar Refractivity
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93.1396 cm3
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Polarizability
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30.663094 Å3
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Polar Surface Area
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87.86 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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0.23
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LOG S
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-2.88
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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