N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 843418
• Molecular Formular: C16H18F3N5O
• Molecular Mass: 353.3422296
• Monoisotopic Mass: 353.14634488
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NCCc1nc(C(F)(F)F)cc(n1)C
• Canonical SMILES: Cc1nc(CCNC(=O)c2cnn3c2CCCC3)nc(c1)C(F)(F)F
• InChI: InChI=1S/C16H18F3N5O/c1-10-8-13(16(17,18)19)23-14(22-10)5-6-20-15(25)11-9-21-24-7-3-2-4-12(11)24/h8-9H,2-7H2,1H3,(H,20,25)
• InChIKey: WLIHJBKRYZJBEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.714214
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.853875
• LogD (pH = 7.4): 1.8539305
• Log P: 1.8539313
• Molar Refractivity: 97.1598 cm^3
• Polarizability: 30.952477 Å^3
• Polar Surface Area: 72.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.76
• LOG S: -3.28
• Polar Surface Area: 72.7 Å^2
• Rotatable Bonds: 4