4-[3-(1-methoxypropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-1-(pyrrolidin-1-yl)butan-1-one

• ChemBase ID: 593279
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: n1(c(nc2c1nccc2)CCCC(=O)N1CCCC1)C(COC)C
• Canonical SMILES: COCC(n1c(CCCC(=O)N2CCCC2)nc2c1nccc2)C
• InChI: InChI=1S/C18H26N4O2/c1-14(13-24-2)22-16(20-15-7-6-10-19-18(15)22)8-5-9-17(23)21-11-3-4-12-21/h6-7,10,14H,3-5,8-9,11-13H2,1-2H3
• InChIKey: NRQSXZXDLYYOJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(1-methoxypropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-1-(pyrrolidin-1-yl)butan-1-one
• IUPAC Traditional name: 4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(pyrrolidin-1-yl)butan-1-one
• Synonyms: 3-(2-methoxy-1-methylethyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)-3H-imidazo[4,5-b]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.441059
• LogD (pH = 7.4): 1.4412696
• Log P: 1.4412724
• Molar Refractivity: 92.2148 cm^3
• Polarizability: 36.280403 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.46
• LOG S: -3.3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 7