4-(8-methyl-3-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-ylmethyl}imidazo[1,2-a]pyridine-2-carbonyl)morpholine

• ChemBase ID: 501389
• Molecular Formular: C21H24N4O2S
• Molecular Mass: 396.50586
• Monoisotopic Mass: 396.16199703
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN1Cc2c(scc2)CC1)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nc2n(c1CN1CCc3c(C1)ccs3)cccc2C)N1CCOCC1
• InChI: InChI=1S/C21H24N4O2S/c1-15-3-2-6-25-17(14-23-7-4-18-16(13-23)5-12-28-18)19(22-20(15)25)21(26)24-8-10-27-11-9-24/h2-3,5-6,12H,4,7-11,13-14H2,1H3
• InChIKey: UBEGFRUIYBOBBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(8-methyl-3-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-ylmethyl}imidazo[1,2-a]pyridine-2-carbonyl)morpholine
• IUPAC Traditional name: 4-(8-methyl-3-{4H,6H,7H-thieno[3,2-c]pyridin-5-ylmethyl}imidazo[1,2-a]pyridine-2-carbonyl)morpholine
• Synonyms: 5-{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7672477
• LogD (pH = 7.4): 2.1314747
• Log P: 2.276954
• Molar Refractivity: 111.8946 cm^3
• Polarizability: 41.56051 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.21
• LOG S: -2.74
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 3