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

• ChemBase ID: 458989
• Molecular Formular: C25H27N7OS
• Molecular Mass: 473.59318
• Monoisotopic Mass: 473.19977952
• SMILES: c12c(nn(c1CCN(C2)Cc1c(n[nH]c1)c1ccccc1)CC1CC1)C(=O)NCc1nccs1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)Cc1c[nH]nc1c1ccccc1)CC1CC1)NCc1nccs1
• InChI: InChI=1S/C25H27N7OS/c33-25(27-13-22-26-9-11-34-22)24-20-16-31(10-8-21(20)32(30-24)14-17-6-7-17)15-19-12-28-29-23(19)18-4-2-1-3-5-18/h1-5,9,11-12,17H,6-8,10,13-16H2,(H,27,33)(H,28,29)
• InChIKey: FABJHOBUMSZWBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.729411
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.1432594
• LogD (pH = 7.4): 2.6252704
• Log P: 2.8325999
• Molar Refractivity: 144.5589 cm^3
• Polarizability: 51.171844 Å^3
• Polar Surface Area: 91.73 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 2.61
• LOG S: -5.74
• Polar Surface Area: 91.73 Å^2
• Rotatable Bonds: 8