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

• ChemBase ID: 669970
• Molecular Formular: C23H27N5O
• Molecular Mass: 389.49338
• Monoisotopic Mass: 389.22156051
• SMILES: c12c(nn(c1CCN(C2)Cc1c2c(ncc1)cccc2)C)C(=O)NC1CCCC1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)Cc1ccnc2c1cccc2)C)NC1CCCC1
• InChI: InChI=1S/C23H27N5O/c1-27-21-11-13-28(14-16-10-12-24-20-9-5-4-8-18(16)20)15-19(21)22(26-27)23(29)25-17-6-2-3-7-17/h4-5,8-10,12,17H,2-3,6-7,11,13-15H2,1H3,(H,25,29)
• InChIKey: AKAVVOBDYDZBRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.227808
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7442826
• LogD (pH = 7.4): 2.3966625
• Log P: 2.770687
• Molar Refractivity: 125.3518 cm^3
• Polarizability: 44.51515 Å^3
• Polar Surface Area: 63.05 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: 2.56
• LOG S: -5.16
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 4