N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}propanamide

• ChemBase ID: 552201
• Molecular Formular: C17H21N5OS
• Molecular Mass: 343.44654
• Monoisotopic Mass: 343.14668132
• SMILES: n1(c(nc2c1nccc2)CCC(=O)N(CCc1c(ncs1)C)C)C
• Canonical SMILES: O=C(N(CCc1scnc1C)C)CCc1nc2c(n1C)nccc2
• InChI: InChI=1S/C17H21N5OS/c1-12-14(24-11-19-12)8-10-21(2)16(23)7-6-15-20-13-5-4-9-18-17(13)22(15)3/h4-5,9,11H,6-8,10H2,1-3H3
• InChIKey: WMVHKXMCZBGHGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}propanamide
• IUPAC Traditional name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-{3-methylimidazo[4,5-b]pyridin-2-yl}propanamide
• Synonyms: N-methyl-3-(3-methyl-3H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1564626
• LogD (pH = 7.4): 1.1570361
• Log P: 1.1570433
• Molar Refractivity: 93.6725 cm^3
• Polarizability: 36.244854 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.84
• LOG S: -2.42
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 6