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

• ChemBase ID: 590463
• Molecular Formular: C20H15N5O
• Molecular Mass: 341.366
• Monoisotopic Mass: 341.12766013
• SMILES: c1(c2c3c(occ3)ccn2)c2c(nc(c1)NCc1cnccc1)[nH]cc2
• Canonical SMILES: c1ccc(cn1)CNc1cc(c2c(n1)[nH]cc2)c1nccc2c1cco2
• InChI: InChI=1S/C20H15N5O/c1-2-13(11-21-6-1)12-24-18-10-16(14-3-7-23-20(14)25-18)19-15-5-9-26-17(15)4-8-22-19/h1-11H,12H2,(H2,23,24,25)
• InChIKey: DOCLQNNSOXAIHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.830733
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5909
• LogD (pH = 7.4): 2.7678113
• Log P: 2.7703605
• Molar Refractivity: 99.3516 cm^3
• Polarizability: 40.15683 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