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

• ChemBase ID: 353567
• Molecular Formular: C20H27N5O2S
• Molecular Mass: 401.52568
• Monoisotopic Mass: 401.18854613
• SMILES: c12c(nn(c1CCN(C(=O)c1scnc1)C2)CC(C)C)C(=O)NC1CCCC1
• Canonical SMILES: CC(Cn1nc(c2c1CCN(C2)C(=O)c1cncs1)C(=O)NC1CCCC1)C
• InChI: InChI=1S/C20H27N5O2S/c1-13(2)10-25-16-7-8-24(20(27)17-9-21-12-28-17)11-15(16)18(23-25)19(26)22-14-5-3-4-6-14/h9,12-14H,3-8,10-11H2,1-2H3,(H,22,26)
• InChIKey: HDQZZTVNIGVEAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-1-(2-methylpropyl)-5-(1,3-thiazole-5-carbonyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopentyl-1-isobutyl-5-(1,3-thiazol-5-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.105567
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0051584
• LogD (pH = 7.4): 2.0051634
• Log P: 2.0051634
• Molar Refractivity: 120.4963 cm^3
• Polarizability: 40.8202 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.14
• LOG S: -5.72
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 4