1-(cyclopropylmethyl)-5-[2-(2H-indazol-2-yl)acetyl]-N-(1,3-thiazol-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 355940
• Molecular Formular: C24H25N7O2S
• Molecular Mass: 475.566
• Monoisotopic Mass: 475.17904408
• SMILES: c12c(nn(c1CCN(C2)C(=O)Cn1nc2c(c1)cccc2)CC1CC1)C(=O)NCc1nccs1
• Canonical SMILES: O=C(N1CCc2c(C1)c(nn2CC1CC1)C(=O)NCc1nccs1)Cn1cc2c(n1)cccc2
• InChI: InChI=1S/C24H25N7O2S/c32-22(15-30-13-17-3-1-2-4-19(17)27-30)29-9-7-20-18(14-29)23(28-31(20)12-16-5-6-16)24(33)26-11-21-25-8-10-34-21/h1-4,8,10,13,16H,5-7,9,11-12,14-15H2,(H,26,33)
• InChIKey: ZLGBFSIVNMBQLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-5-[2-(2H-indazol-2-yl)acetyl]-N-(1,3-thiazol-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-5-[2-(indazol-2-yl)acetyl]-N-(1,3-thiazol-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-5-(2H-indazol-2-ylacetyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.700248
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4753116
• LogD (pH = 7.4): 1.4755206
• Log P: 1.4755235
• Molar Refractivity: 150.2464 cm^3
• Polarizability: 49.36367 Å^3
• Polar Surface Area: 97.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.44
• LOG S: -6.24
• Polar Surface Area: 97.94 Å^2
• Rotatable Bonds: 7