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N-cyclopropyl-2-[3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
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ChemBase ID:
323419
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Molecular Formular:
C24H26N4O
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Molecular Mass:
386.48944
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Monoisotopic Mass:
386.21066147
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SMILES and InChIs
SMILES:
c12c(n[nH]c2CCN(C1)C(C(=O)NC1CC1)C)c1ccc(cc1)c1ccccc1
Canonical SMILES:
O=C(C(N1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1)C)NC1CC1
InChI:
InChI=1S/C24H26N4O/c1-16(24(29)25-20-11-12-20)28-14-13-22-21(15-28)23(27-26-22)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,16,20H,11-15H2,1H3,(H,25,29)(H,26,27)
InChIKey:
OBFRMHWNOZZLHW-UHFFFAOYSA-N
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Cite this record
CBID:323419 http://www.chembase.cn/molecule-323419.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-cyclopropyl-2-[3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
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IUPAC Traditional name
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N-cyclopropyl-2-[3-(4-phenylphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
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Synonyms
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2-(3-biphenyl-4-yl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide
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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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14.355726
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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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1.9091182
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LogD (pH = 7.4)
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3.3669176
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Log P
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3.5593612
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Molar Refractivity
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115.9946 cm3
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Polarizability
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46.895412 Å3
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Polar Surface Area
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61.02 Å2
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Rotatable Bonds
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5
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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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3.98
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LOG S
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-5.42
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Polar Surface Area
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61.02 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent