N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-(pyrazin-2-yl)propanamide

• ChemBase ID: 315342
• Molecular Formular: C16H17N5O
• Molecular Mass: 295.33908
• Monoisotopic Mass: 295.14331019
• SMILES: c12n(cc(n1)CNC(=O)CCc1nccnc1)ccc(c2)C
• Canonical SMILES: O=C(CCc1cnccn1)NCc1cn2c(n1)cc(cc2)C
• InChI: InChI=1S/C16H17N5O/c1-12-4-7-21-11-14(20-15(21)8-12)10-19-16(22)3-2-13-9-17-5-6-18-13/h4-9,11H,2-3,10H2,1H3,(H,19,22)
• InChIKey: RIYJNYNUYFQIOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-(pyrazin-2-yl)propanamide
• IUPAC Traditional name: N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-(pyrazin-2-yl)propanamide
• Synonyms: N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-pyrazinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.902551
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5384906
• LogD (pH = 7.4): 0.0014803176
• Log P: 0.016537335
• Molar Refractivity: 82.9579 cm^3
• Polarizability: 31.425459 Å^3
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.16
• LOG S: -3.43
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 5