2-methoxy-N-methyl-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide

• ChemBase ID: 456347
• Molecular Formular: C18H23N3O2S
• Molecular Mass: 345.45912
• Monoisotopic Mass: 345.15109799
• SMILES: c1(C(=O)N(Cc2nc(sc2)C(C)C)C)c(nc2c(c1)CCC2)OC
• Canonical SMILES: COc1nc2CCCc2cc1C(=O)N(Cc1csc(n1)C(C)C)C
• InChI: InChI=1S/C18H23N3O2S/c1-11(2)17-19-13(10-24-17)9-21(3)18(22)14-8-12-6-5-7-15(12)20-16(14)23-4/h8,10-11H,5-7,9H2,1-4H3
• InChIKey: XOXOMARYZRRULC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-methyl-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• Synonyms: N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2021527
• LogD (pH = 7.4): 3.203264
• Log P: 3.2032783
• Molar Refractivity: 94.9479 cm^3
• Polarizability: 35.94664 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.88
• LOG S: -4.18
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5