6-(4-methoxyphenyl)-7-methyl-8-oxo-N-[(2R)-pyrrolidin-2-ylmethyl]-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 708543
• Molecular Formular: C20H23N5O3
• Molecular Mass: 381.42832
• Monoisotopic Mass: 381.18008962
• SMILES: c12n(cc(n(c2=O)C)c2ccc(cc2)OC)cc(n1)C(=O)NC[C@@H]1NCCC1
• Canonical SMILES: COc1ccc(cc1)c1cn2cc(nc2c(=O)n1C)C(=O)NC[C@H]1CCCN1
• InChI: InChI=1S/C20H23N5O3/c1-24-17(13-5-7-15(28-2)8-6-13)12-25-11-16(23-18(25)20(24)27)19(26)22-10-14-4-3-9-21-14/h5-8,11-12,14,21H,3-4,9-10H2,1-2H3,(H,22,26)/t14-/m1/s1
• InChIKey: PXKYIQVDRKAHHJ-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methoxyphenyl)-7-methyl-8-oxo-N-[(2R)-pyrrolidin-2-ylmethyl]-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 6-(4-methoxyphenyl)-7-methyl-8-oxo-N-[(2R)-pyrrolidin-2-ylmethyl]imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: 6-(4-methoxyphenyl)-7-methyl-8-oxo-N-[(2R)-pyrrolidin-2-ylmethyl]-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.922814
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.593222
• LogD (pH = 7.4): -2.257558
• Log P: 0.6422901
• Molar Refractivity: 105.3521 cm^3
• Polarizability: 39.665165 Å^3
• Polar Surface Area: 88.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.6
• LOG S: -2.49
• Polar Surface Area: 89.66 Å^2
• Rotatable Bonds: 5