5-(2-chloropyridine-4-carbonyl)-N-cyclopentyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 658168
• Molecular Formular: C19H22ClN5O2
• Molecular Mass: 387.86328
• Monoisotopic Mass: 387.14620265
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1cc(ncc1)Cl)C)C(=O)NC1CCCC1
• Canonical SMILES: Clc1nccc(c1)C(=O)N1CCc2c(C1)c(nn2C)C(=O)NC1CCCC1
• InChI: InChI=1S/C19H22ClN5O2/c1-24-15-7-9-25(19(27)12-6-8-21-16(20)10-12)11-14(15)17(23-24)18(26)22-13-4-2-3-5-13/h6,8,10,13H,2-5,7,9,11H2,1H3,(H,22,26)
• InChIKey: RCOOIQAUAOHSQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-chloropyridine-4-carbonyl)-N-cyclopentyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-(2-chloropyridine-4-carbonyl)-N-cyclopentyl-1-methyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-(2-chloroisonicotinoyl)-N-cyclopentyl-1-methyl-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): 1.5761764
• LogD (pH = 7.4): 1.5761775
• Log P: 1.5761776
• Molar Refractivity: 115.4688 cm^3
• Polarizability: 38.54752 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.37
• LOG S: -5.79
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 3