N-cyclopentyl-1-methyl-5-[(1-methyl-1H-indol-3-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 538040
• Molecular Formular: C23H29N5O
• Molecular Mass: 391.50926
• Monoisotopic Mass: 391.23721057
• SMILES: c12c(nn(c1CCN(C2)Cc1cn(c2c1cccc2)C)C)C(=O)NC1CCCC1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)Cc1cn(c2c1cccc2)C)C)NC1CCCC1
• InChI: InChI=1S/C23H29N5O/c1-26-13-16(18-9-5-6-10-20(18)26)14-28-12-11-21-19(15-28)22(25-27(21)2)23(29)24-17-7-3-4-8-17/h5-6,9-10,13,17H,3-4,7-8,11-12,14-15H2,1-2H3,(H,24,29)
• InChIKey: GWKQFBDNSHQQBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-1-methyl-5-[(1-methyl-1H-indol-3-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-1-methyl-5-[(1-methylindol-3-yl)methyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopentyl-1-methyl-5-[(1-methyl-1H-indol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.227808
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7456489
• LogD (pH = 7.4): 2.4534755
• Log P: 2.9354706
• Molar Refractivity: 127.4137 cm^3
• Polarizability: 44.862926 Å^3
• Polar Surface Area: 55.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.13
• LOG S: -5.95
• Polar Surface Area: 55.09 Å^2
• Rotatable Bonds: 4