N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 470895
• Molecular Formular: C19H20N4OS
• Molecular Mass: 352.4533
• Monoisotopic Mass: 352.13578228
• SMILES: c1(C(=O)N(Cc2nc(sc2)c2ccccc2)C)c2n(nc1)CCCC2
• Canonical SMILES: CN(C(=O)c1cnn2c1CCCC2)Cc1csc(n1)c1ccccc1
• InChI: InChI=1S/C19H20N4OS/c1-22(19(24)16-11-20-23-10-6-5-9-17(16)23)12-15-13-25-18(21-15)14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3
• InChIKey: ZQMRXNUDFHRWBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.88158
• LogD (pH = 7.4): 2.881724
• Log P: 2.8817258
• Molar Refractivity: 120.7767 cm^3
• Polarizability: 37.77827 Å^3
• Polar Surface Area: 51.02 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: 2.66
• LOG S: -4.04
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4