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

• ChemBase ID: 706180
• Molecular Formular: C19H21N5O
• Molecular Mass: 335.40294
• Monoisotopic Mass: 335.17461032
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)NCc1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C19H21N5O/c1-12-4-6-24-11-17(23-18(24)7-12)19(25)22-10-16-13(2)21-9-14-8-20-5-3-15(14)16/h4,6-7,9,11,20H,3,5,8,10H2,1-2H3,(H,22,25)
• InChIKey: DPNYRLLRLNPBIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.91529
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0641778
• LogD (pH = 7.4): -0.52711546
• Log P: 0.9695457
• Molar Refractivity: 98.1855 cm^3
• Polarizability: 36.428787 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: 1.11
• LOG S: -1.29
• Polar Surface Area: 71.32 Å^2
• Rotatable Bonds: 3