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

• ChemBase ID: 344501
• Molecular Formular: C24H27N5O3S
• Molecular Mass: 465.56788
• Monoisotopic Mass: 465.18346075
• SMILES: c12c(nn(c1CCN(C(=O)c1ncsc1)C2)Cc1ccc(cc1)OC)C(=O)NC1CCCC1
• Canonical SMILES: COc1ccc(cc1)Cn1nc(c2c1CCN(C2)C(=O)c1cscn1)C(=O)NC1CCCC1
• InChI: InChI=1S/C24H27N5O3S/c1-32-18-8-6-16(7-9-18)12-29-21-10-11-28(24(31)20-14-33-15-25-20)13-19(21)22(27-29)23(30)26-17-4-2-3-5-17/h6-9,14-15,17H,2-5,10-13H2,1H3,(H,26,30)
• InChIKey: ZNVQBVXXSKWWRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.0973425
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.581072
• LogD (pH = 7.4): 2.581073
• Log P: 2.581073
• Molar Refractivity: 137.6718 cm^3
• Polarizability: 47.39292 Å^3
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.37
• LOG S: -6.31
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 5