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N-{1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ylmethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
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ChemBase ID:
370047
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Molecular Formular:
C17H23N5O
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Molecular Mass:
313.39742
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Monoisotopic Mass:
313.19026038
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SMILES and InChIs
SMILES:
c1(c2n(nc1)CCCC2)C(=O)NCc1n[nH]c2c1CCCCC2
Canonical SMILES:
O=C(c1cnn2c1CCCC2)NCc1n[nH]c2c1CCCCC2
InChI:
InChI=1S/C17H23N5O/c23-17(13-10-19-22-9-5-4-8-16(13)22)18-11-15-12-6-2-1-3-7-14(12)20-21-15/h10H,1-9,11H2,(H,18,23)(H,20,21)
InChIKey:
BYGRDELGBJHIPL-UHFFFAOYSA-N
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Cite this record
CBID:370047 http://www.chembase.cn/molecule-370047.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-{1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ylmethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
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IUPAC Traditional name
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N-{1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ylmethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
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Synonyms
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N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]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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13.519901
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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1.9394358
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LogD (pH = 7.4)
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1.9395851
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Log P
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1.9395872
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Molar Refractivity
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101.3721 cm3
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Polarizability
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33.03476 Å3
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Polar Surface Area
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75.6 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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3
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H Donor
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2
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Log P
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2.73
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LOG S
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-3.82
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Polar Surface Area
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75.6 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