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

• ChemBase ID: 687406
• Molecular Formular: C25H29N5O4S
• Molecular Mass: 495.59386
• Monoisotopic Mass: 495.19402543
• SMILES: c12c(nn(c1CCN(C2)C(=O)COc1c(OC)cccc1)CCc1c(ncs1)C)C(=O)NC1CC1
• Canonical SMILES: COc1ccccc1OCC(=O)N1CCc2c(C1)c(nn2CCc1scnc1C)C(=O)NC1CC1
• InChI: InChI=1S/C25H29N5O4S/c1-16-22(35-15-26-16)10-12-30-19-9-11-29(13-18(19)24(28-30)25(32)27-17-7-8-17)23(31)14-34-21-6-4-3-5-20(21)33-2/h3-6,15,17H,7-14H2,1-2H3,(H,27,32)
• InChIKey: TWCBXKUVZGEFJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.103845
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.5199485
• LogD (pH = 7.4): 1.5212684
• Log P: 1.5212854
• Molar Refractivity: 143.3744 cm^3
• Polarizability: 49.976875 Å^3
• Polar Surface Area: 98.58 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.21
• LOG S: -5.53
• Polar Surface Area: 98.58 Å^2
• Rotatable Bonds: 8