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

• ChemBase ID: 666348
• Molecular Formular: C18H24N4O
• Molecular Mass: 312.40936
• Monoisotopic Mass: 312.19501141
• SMILES: c1(C(=O)N(C(Cc2nccc(c2)C)C)C)c2n(nc1)CCCC2
• Canonical SMILES: Cc1ccnc(c1)CC(N(C(=O)c1cnn2c1CCCC2)C)C
• InChI: InChI=1S/C18H24N4O/c1-13-7-8-19-15(10-13)11-14(2)21(3)18(23)16-12-20-22-9-5-4-6-17(16)22/h7-8,10,12,14H,4-6,9,11H2,1-3H3
• InChIKey: JYRAPEGMDCRFHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9502017
• LogD (pH = 7.4): 2.1443007
• Log P: 2.1474996
• Molar Refractivity: 102.4692 cm^3
• Polarizability: 34.276314 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: 1.37
• LOG S: -1.35
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4