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N-{imidazo[1,2-a]pyridin-2-ylmethyl}-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
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ChemBase ID:
489643
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Molecular Formular:
C16H18N6O
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Molecular Mass:
310.35372
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Monoisotopic Mass:
310.15420923
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SMILES and InChIs
SMILES:
c12c(n[nH]c1CCN(C2)C)C(=O)NCc1nc2n(c1)cccc2
Canonical SMILES:
CN1CCc2c(C1)c(n[nH]2)C(=O)NCc1nc2n(c1)cccc2
InChI:
InChI=1S/C16H18N6O/c1-21-7-5-13-12(10-21)15(20-19-13)16(23)17-8-11-9-22-6-3-2-4-14(22)18-11/h2-4,6,9H,5,7-8,10H2,1H3,(H,17,23)(H,19,20)
InChIKey:
KQYQWQAKZCFISV-UHFFFAOYSA-N
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Cite this record
CBID:489643 http://www.chembase.cn/molecule-489643.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-{imidazo[1,2-a]pyridin-2-ylmethyl}-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
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IUPAC Traditional name
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N-{imidazo[1,2-a]pyridin-2-ylmethyl}-5-methyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
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Synonyms
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N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-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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9.001221
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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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-2.1808932
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LogD (pH = 7.4)
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-0.2100323
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Log P
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-0.093415625
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Molar Refractivity
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89.1575 cm3
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Polarizability
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32.464092 Å3
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Polar Surface Area
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78.32 Å2
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Rotatable Bonds
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3
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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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-0.5
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LOG S
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-2.35
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Polar Surface Area
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78.32 Å2
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Rotatable Bonds
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3
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent