2-{4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}imidazo[1,2-a]pyrimidine

• ChemBase ID: 405471
• Molecular Formular: C14H12N4OS
• Molecular Mass: 284.33628
• Monoisotopic Mass: 284.07318202
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1Cc2c(scc2)CC1
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)N1CCc2c(C1)ccs2
• InChI: InChI=1S/C14H12N4OS/c19-13(11-9-18-5-1-4-15-14(18)16-11)17-6-2-12-10(8-17)3-7-20-12/h1,3-5,7,9H,2,6,8H2
• InChIKey: BXPXXCPXCHGSKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}imidazo[1,2-a]pyrimidine
• IUPAC Traditional name: 2-{4H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}imidazo[1,2-a]pyrimidine
• Synonyms: 2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-ylcarbonyl)imidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1683688
• LogD (pH = 7.4): 1.1683805
• Log P: 1.1683806
• Molar Refractivity: 78.2119 cm^3
• Polarizability: 28.325628 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.6
• LOG S: -1.79
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 1