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

• ChemBase ID: 430136
• Molecular Formular: C22H25N5O4S
• Molecular Mass: 455.53
• Monoisotopic Mass: 455.16272531
• SMILES: c1(c2c(n(n1)CC1CC1)CCN(C(=O)c1oc(cc1)OC)C2)C(=O)N(Cc1ncsc1)C
• Canonical SMILES: COc1ccc(o1)C(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)N(Cc1ncsc1)C
• InChI: InChI=1S/C22H25N5O4S/c1-25(10-15-12-32-13-23-15)22(29)20-16-11-26(21(28)18-5-6-19(30-2)31-18)8-7-17(16)27(24-20)9-14-3-4-14/h5-6,12-14H,3-4,7-11H2,1-2H3
• InChIKey: WLKDAUKUAXWGHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0756396
• LogD (pH = 7.4): 1.075782
• Log P: 1.0757837
• Molar Refractivity: 129.5913 cm^3
• Polarizability: 44.340305 Å^3
• Polar Surface Area: 93.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.07
• LOG S: -3.75
• Polar Surface Area: 93.7 Å^2
• Rotatable Bonds: 6