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

• ChemBase ID: 365989
• Molecular Formular: C26H31N5O2S
• Molecular Mass: 477.62164
• Monoisotopic Mass: 477.21984626
• SMILES: c1(c2c(n(n1)CC1CC1)CCN(C2)C(=O)CCc1ccc(cc1)C)C(=O)N(Cc1ncsc1)C
• Canonical SMILES: Cc1ccc(cc1)CCC(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)N(Cc1cscn1)C
• InChI: InChI=1S/C26H31N5O2S/c1-18-3-5-19(6-4-18)9-10-24(32)30-12-11-23-22(15-30)25(28-31(23)13-20-7-8-20)26(33)29(2)14-21-16-34-17-27-21/h3-6,16-17,20H,7-15H2,1-2H3
• InChIKey: OMFPCEAMVLNHNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0219285
• LogD (pH = 7.4): 3.0220711
• Log P: 3.0220728
• Molar Refractivity: 145.1775 cm^3
• Polarizability: 50.484596 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.84
• LOG S: -5.47
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 8