4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-{imidazo[1,2-a]pyridin-2-ylmethyl}pyridine-2-carboxamide

• ChemBase ID: 699678
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: n1c2n(cc1CNC(=O)c1cc(N3C[C@@H](O[C@@H](C3)C)C)ccn1)cccc2
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)c1ccnc(c1)C(=O)NCc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H23N5O2/c1-14-11-25(12-15(2)27-14)17-6-7-21-18(9-17)20(26)22-10-16-13-24-8-4-3-5-19(24)23-16/h3-9,13-15H,10-12H2,1-2H3,(H,22,26)/t14-,15+
• InChIKey: XKQNZXWEQSSMGO-GASCZTMLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-{imidazo[1,2-a]pyridin-2-ylmethyl}pyridine-2-carboxamide
• IUPAC Traditional name: 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-{imidazo[1,2-a]pyridin-2-ylmethyl}pyridine-2-carboxamide
• Synonyms: 4-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.397316
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.93779016
• LogD (pH = 7.4): 1.515803
• Log P: 1.5306822
• Molar Refractivity: 103.8137 cm^3
• Polarizability: 38.815666 Å^3
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.19
• LOG S: -3.01
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 4