N-methyl-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 864586
• Molecular Formular: C16H18N4OS
• Molecular Mass: 314.40532
• Monoisotopic Mass: 314.12013222
• SMILES: c1(c2n(nc1)cccc2)C(=O)N(Cc1nc(sc1)C(C)C)C
• Canonical SMILES: CN(C(=O)c1cnn2c1cccc2)Cc1csc(n1)C(C)C
• InChI: InChI=1S/C16H18N4OS/c1-11(2)15-18-12(10-22-15)9-19(3)16(21)13-8-17-20-7-5-4-6-14(13)20/h4-8,10-11H,9H2,1-3H3
• InChIKey: UVPUNUJSRJZYFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6318953
• LogD (pH = 7.4): 2.6324925
• Log P: 2.6325002
• Molar Refractivity: 97.7906 cm^3
• Polarizability: 33.2866 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.43
• LOG S: -2.71
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4