N-[(2R)-3,4-dihydro-2H-1-benzopyran-2-ylmethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 748296
• Molecular Formular: C19H19N3O2
• Molecular Mass: 321.37306
• Monoisotopic Mass: 321.14772686
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)NC[C@@H]1Oc2c(CC1)cccc2
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)NC[C@H]1CCc2c(O1)cccc2
• InChI: InChI=1S/C19H19N3O2/c1-13-11-22-12-15(7-9-18(22)21-13)19(23)20-10-16-8-6-14-4-2-3-5-17(14)24-16/h2-5,7,9,11-12,16H,6,8,10H2,1H3,(H,20,23)/t16-/m1/s1
• InChIKey: ILIFEQYIAJZKJQ-MRXNPFEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R)-3,4-dihydro-2H-1-benzopyran-2-ylmethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(2R)-3,4-dihydro-2H-1-benzopyran-2-ylmethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[(2R)-3,4-dihydro-2H-chromen-2-ylmethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.243526
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4969826
• LogD (pH = 7.4): 2.132469
• Log P: 2.1535099
• Molar Refractivity: 92.636 cm^3
• Polarizability: 34.717224 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.92
• LOG S: -4.04
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3