5-{2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carbonyl}-N,N-dimethyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

• ChemBase ID: 453310
• Molecular Formular: C19H22N4O4
• Molecular Mass: 370.40238
• Monoisotopic Mass: 370.1641052
• SMILES: c1(c2CN(C(=O)c3c(nc4c(c3)CCC4)OC)CCc2on1)C(=O)N(C)C
• Canonical SMILES: COc1nc2CCCc2cc1C(=O)N1CCc2c(C1)c(no2)C(=O)N(C)C
• InChI: InChI=1S/C19H22N4O4/c1-22(2)19(25)16-13-10-23(8-7-15(13)27-21-16)18(24)12-9-11-5-4-6-14(11)20-17(12)26-3/h9H,4-8,10H2,1-3H3
• InChIKey: OKSDSGWZMQSSJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carbonyl}-N,N-dimethyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-{2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carbonyl}-N,N-dimethyl-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• Synonyms: 5-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)carbonyl]-N,N-dimethyl-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.8754731
• LogD (pH = 7.4): 0.87599635
• Log P: 0.876003
• Molar Refractivity: 99.8589 cm^3
• Polarizability: 36.427197 Å^3
• Polar Surface Area: 88.77 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 3
• H Acceptors: 6
• H Donor: 0
• Log P: -0.69
• LOG S: -2.62
• Polar Surface Area: 88.77 Å^2