N-(3,4-dihydro-2H-1-benzopyran-6-ylmethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 491254
• Molecular Formular: C17H20N4O2
• Molecular Mass: 312.3663
• Monoisotopic Mass: 312.1586259
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NCc1cc2c(OCCC2)cc1
• Canonical SMILES: O=C(c1cn2c(n1)CNCC2)NCc1ccc2c(c1)CCCO2
• InChI: InChI=1S/C17H20N4O2/c22-17(14-11-21-6-5-18-10-16(21)20-14)19-9-12-3-4-15-13(8-12)2-1-7-23-15/h3-4,8,11,18H,1-2,5-7,9-10H2,(H,19,22)
• InChIKey: QGALPTVFLLRFFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dihydro-2H-1-benzopyran-6-ylmethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-(3,4-dihydro-2H-1-benzopyran-6-ylmethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.315405
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.0610095
• LogD (pH = 7.4): 0.98881423
• Log P: 1.0498679
• Molar Refractivity: 87.105 cm^3
• Polarizability: 33.060104 Å^3
• Polar Surface Area: 68.18 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: 1.31
• LOG S: -2.6
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 3