N-(4-fluoro-2-methylphenyl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-ylformamido}propanamide

• ChemBase ID: 355630
• Molecular Formular: C18H21FN4O2
• Molecular Mass: 344.3833432
• Monoisotopic Mass: 344.16485415
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NCCC(=O)Nc1c(cc(cc1)F)C
• Canonical SMILES: O=C(Nc1ccc(cc1C)F)CCNC(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C18H21FN4O2/c1-12-10-13(19)5-6-15(12)22-17(24)7-8-20-18(25)14-11-21-23-9-3-2-4-16(14)23/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,25)(H,22,24)
• InChIKey: ATUXSAVAMXSCDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluoro-2-methylphenyl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-ylformamido}propanamide
• IUPAC Traditional name: N-(4-fluoro-2-methylphenyl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-ylformamido}propanamide
• Synonyms: N-{3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.65591
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9739245
• LogD (pH = 7.4): 1.9739623
• Log P: 1.973963
• Molar Refractivity: 105.7985 cm^3
• Polarizability: 34.259808 Å^3
• Polar Surface Area: 76.02 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 2
• Log P: 2.31
• LOG S: -3.68
• Polar Surface Area: 76.02 Å^2