4-{furo[3,2-c]pyridin-4-yl}-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

• ChemBase ID: 707267
• Molecular Formular: C17H16N4O2
• Molecular Mass: 308.33454
• Monoisotopic Mass: 308.12732577
• SMILES: c1(c2c3c(occ3)ccn2)c2c(nc(c1)NCCOC)[nH]cc2
• Canonical SMILES: COCCNc1cc(c2c(n1)[nH]cc2)c1nccc2c1cco2
• InChI: InChI=1S/C17H16N4O2/c1-22-9-7-18-15-10-13(11-2-5-20-17(11)21-15)16-12-4-8-23-14(12)3-6-19-16/h2-6,8,10H,7,9H2,1H3,(H2,18,20,21)
• InChIKey: KPLUOBHUIZSVCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{furo[3,2-c]pyridin-4-yl}-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• IUPAC Traditional name: 4-{furo[3,2-c]pyridin-4-yl}-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• Synonyms: 4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.831458
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1042793
• LogD (pH = 7.4): 2.2149615
• Log P: 2.2165842
• Molar Refractivity: 87.9394 cm^3
• Polarizability: 35.80474 Å^3
• Polar Surface Area: 75.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.91
• LOG S: -4.19
• Polar Surface Area: 75.97 Å^2
• Rotatable Bonds: 5