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

• ChemBase ID: 713741
• Molecular Formular: C25H29N5O4S
• Molecular Mass: 495.59386
• Monoisotopic Mass: 495.19402543
• SMILES: c1(c2c(n(n1)CC1CC1)CCN(C2)C(=O)COc1ccc(cc1)OC)C(=O)N(Cc1ncsc1)C
• Canonical SMILES: COc1ccc(cc1)OCC(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)N(Cc1cscn1)C
• InChI: InChI=1S/C25H29N5O4S/c1-28(12-18-15-35-16-26-18)25(32)24-21-13-29(10-9-22(21)30(27-24)11-17-3-4-17)23(31)14-34-20-7-5-19(33-2)6-8-20/h5-8,15-17H,3-4,9-14H2,1-2H3
• InChIKey: YYMTZQGKBJFDLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.53834
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.5888311
• LogD (pH = 7.4): 1.5889734
• Log P: 1.5889753
• Molar Refractivity: 143.2387 cm^3
• Polarizability: 50.1306 Å^3
• Polar Surface Area: 89.79 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.51
• LOG S: -3.53
• Polar Surface Area: 89.79 Å^2
• Rotatable Bonds: 8