N-{imidazo[1,2-a]pyrazin-3-ylmethyl}-3-(pyridin-3-yl)propanamide

• ChemBase ID: 566440
• Molecular Formular: C15H15N5O
• Molecular Mass: 281.3125
• Monoisotopic Mass: 281.12766013
• SMILES: n12c(ncc1CNC(=O)CCc1cnccc1)cncc2
• Canonical SMILES: O=C(CCc1cccnc1)NCc1cnc2n1ccnc2
• InChI: InChI=1S/C15H15N5O/c21-15(4-3-12-2-1-5-16-8-12)19-10-13-9-18-14-11-17-6-7-20(13)14/h1-2,5-9,11H,3-4,10H2,(H,19,21)
• InChIKey: QZGSUNGKOJNLBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyrazin-3-ylmethyl}-3-(pyridin-3-yl)propanamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyrazin-3-ylmethyl}-3-(pyridin-3-yl)propanamide
• Synonyms: N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-pyridin-3-ylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.871362
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6260208
• LogD (pH = 7.4): -0.5336162
• Log P: -0.5322708
• Molar Refractivity: 78.7402 cm^3
• Polarizability: 29.670004 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: 4
• H Donor: 1
• Log P: -0.99
• LOG S: -0.42
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 5