N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 576185
• Molecular Formular: C18H19N5O
• Molecular Mass: 321.37636
• Monoisotopic Mass: 321.15896025
• SMILES: c1(c2n(nc1)cccc2)C(=O)NCc1c2c(cnc1C)CNCC2
• Canonical SMILES: O=C(c1cnn2c1cccc2)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C18H19N5O/c1-12-15(14-5-6-19-8-13(14)9-20-12)10-21-18(24)16-11-22-23-7-3-2-4-17(16)23/h2-4,7,9,11,19H,5-6,8,10H2,1H3,(H,21,24)
• InChIKey: FWOYIJUSNSGXHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.711322
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2149463
• LogD (pH = 7.4): -0.6826932
• Log P: 0.81390756
• Molar Refractivity: 103.5578 cm^3
• Polarizability: 35.326107 Å^3
• Polar Surface Area: 71.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.56
• LOG S: -0.72
• Polar Surface Area: 71.32 Å^2
• Rotatable Bonds: 3