N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1-(prop-2-en-1-yl)pyrrolidine-2-carboxamide

• ChemBase ID: 745134
• Molecular Formular: C15H22N4O
• Molecular Mass: 274.36138
• Monoisotopic Mass: 274.17936134
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C1N(CC=C)CCC1
• Canonical SMILES: C=CCN1CCCC1C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H22N4O/c1-2-8-18-9-5-6-12(18)15(20)17-14-11-16-13-7-3-4-10-19(13)14/h2,11-12H,1,3-10H2,(H,17,20)
• InChIKey: UDKOZPMJFGDYCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1-(prop-2-en-1-yl)pyrrolidine-2-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1-(prop-2-en-1-yl)pyrrolidine-2-carboxamide
• Synonyms: 1-allyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.344887
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5075487
• LogD (pH = 7.4): 1.3154955
• Log P: 1.4405917
• Molar Refractivity: 79.8408 cm^3
• Polarizability: 30.109552 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.53
• LOG S: -1.65
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4