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

• ChemBase ID: 652742
• Molecular Formular: C25H33N5O2
• Molecular Mass: 435.56182
• Monoisotopic Mass: 435.26342532
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1ccc(N2CCCCC2)cc1)C)C(=O)NC1CCCC1
• Canonical SMILES: O=C(N1CCc2c(C1)c(nn2C)C(=O)NC1CCCC1)c1ccc(cc1)N1CCCCC1
• InChI: InChI=1S/C25H33N5O2/c1-28-22-13-16-30(17-21(22)23(27-28)24(31)26-19-7-3-4-8-19)25(32)18-9-11-20(12-10-18)29-14-5-2-6-15-29/h9-12,19H,2-8,13-17H2,1H3,(H,26,31)
• InChIKey: AXTNNLSTIGBZKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.112365
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9133766
• LogD (pH = 7.4): 2.9278502
• Log P: 2.9280381
• Molar Refractivity: 138.3302 cm^3
• Polarizability: 47.06058 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.39
• LOG S: -6.99
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 4