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

• ChemBase ID: 572502
• Molecular Formular: C20H15N5O
• Molecular Mass: 341.366
• Monoisotopic Mass: 341.12766013
• SMILES: c1(c2c3c(occ3)ccn2)c2c(nc(c1)NCc1ncccc1)[nH]cc2
• Canonical SMILES: c1ccc(nc1)CNc1nc2[nH]ccc2c(c1)c1nccc2c1cco2
• InChI: InChI=1S/C20H15N5O/c1-2-7-21-13(3-1)12-24-18-11-16(14-4-8-23-20(14)25-18)19-15-6-10-26-17(15)5-9-22-19/h1-11H,12H2,(H2,23,24,25)
• InChIKey: FWMBMVSZHYXEGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.830323
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.7433407
• LogD (pH = 7.4): 2.850288
• Log P: 2.8518324
• Molar Refractivity: 98.8294 cm^3
• Polarizability: 40.157684 Å^3
• Polar Surface Area: 79.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.35
• LOG S: -3.51
• Polar Surface Area: 79.63 Å^2
• Rotatable Bonds: 4