6-(2-chlorophenyl)-2-(4-fluoropiperidine-1-carbonyl)-7-(prop-2-en-1-yl)-7H,8H-imidazo[1,2-a]pyrazin-8-one

• ChemBase ID: 693741
• Molecular Formular: C21H20ClFN4O2
• Molecular Mass: 414.8605032
• Monoisotopic Mass: 414.1258818
• SMILES: c1(nc2n(cc(n(c2=O)CC=C)c2c(Cl)cccc2)c1)C(=O)N1CCC(CC1)F
• Canonical SMILES: C=CCn1c(cn2c(c1=O)nc(c2)C(=O)N1CCC(CC1)F)c1ccccc1Cl
• InChI: InChI=1S/C21H20ClFN4O2/c1-2-9-27-18(15-5-3-4-6-16(15)22)13-26-12-17(24-19(26)21(27)29)20(28)25-10-7-14(23)8-11-25/h2-6,12-14H,1,7-11H2
• InChIKey: PRDOYHWMUVBSGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-chlorophenyl)-2-(4-fluoropiperidine-1-carbonyl)-7-(prop-2-en-1-yl)-7H,8H-imidazo[1,2-a]pyrazin-8-one
• IUPAC Traditional name: 6-(2-chlorophenyl)-2-(4-fluoropiperidine-1-carbonyl)-7-(prop-2-en-1-yl)imidazo[1,2-a]pyrazin-8-one
• Synonyms: 7-allyl-6-(2-chlorophenyl)-2-[(4-fluoropiperidin-1-yl)carbonyl]imidazo[1,2-a]pyrazin-8(7H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4669223
• LogD (pH = 7.4): 2.4669223
• Log P: 2.4669223
• Molar Refractivity: 109.8497 cm^3
• Polarizability: 40.6786 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.05
• LOG S: -3.98
• Polar Surface Area: 59.61 Å^2
• Rotatable Bonds: 4