1-(cyclopropylmethyl)-5-[5-(methoxymethyl)thiophene-2-carbonyl]-N-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 708272
• Molecular Formular: C24H27N5O3S
• Molecular Mass: 465.56788
• Monoisotopic Mass: 465.18346075
• SMILES: c12c(nn(c1CCN(C(=O)c1sc(cc1)COC)C2)CC1CC1)C(=O)NCc1ncccc1
• Canonical SMILES: COCc1ccc(s1)C(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)NCc1ccccn1
• InChI: InChI=1S/C24H27N5O3S/c1-32-15-18-7-8-21(33-18)24(31)28-11-9-20-19(14-28)22(27-29(20)13-16-5-6-16)23(30)26-12-17-4-2-3-10-25-17/h2-4,7-8,10,16H,5-6,9,11-15H2,1H3,(H,26,30)
• InChIKey: PCTVEBXPZQCUQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-5-[5-(methoxymethyl)thiophene-2-carbonyl]-N-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-5-[5-(methoxymethyl)thiophene-2-carbonyl]-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-5-{[5-(methoxymethyl)-2-thienyl]carbonyl}-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.839118
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.8869042
• LogD (pH = 7.4): 1.9046422
• Log P: 1.9048736
• Molar Refractivity: 137.463 cm^3
• Polarizability: 47.388588 Å^3
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.48
• LOG S: -6.51
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 7