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

• ChemBase ID: 717228
• Molecular Formular: C20H27N5O2S
• Molecular Mass: 401.52568
• Monoisotopic Mass: 401.18854613
• SMILES: c12c(nn(c1CCN(C2)Cc1sc(NC(=O)C)cc1)C)C(=O)NC1CCCC1
• Canonical SMILES: CC(=O)Nc1ccc(s1)CN1CCc2c(C1)c(nn2C)C(=O)NC1CCCC1
• InChI: InChI=1S/C20H27N5O2S/c1-13(26)21-18-8-7-15(28-18)11-25-10-9-17-16(12-25)19(23-24(17)2)20(27)22-14-5-3-4-6-14/h7-8,14H,3-6,9-12H2,1-2H3,(H,21,26)(H,22,27)
• InChIKey: MNQFNPPFLQHNII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-5-[(5-acetamidothiophen-2-yl)methyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-5-[(5-acetamidothiophen-2-yl)methyl]-1-methyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-{[5-(acetylamino)-2-thienyl]methyl}-N-cyclopentyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.175325
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.73469615
• LogD (pH = 7.4): 1.8556616
• Log P: 1.9296201
• Molar Refractivity: 122.3433 cm^3
• Polarizability: 41.474663 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.75
• LOG S: -5.06
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 5