2-{[4-(3-methoxypyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino}ethan-1-ol

• ChemBase ID: 790901
• Molecular Formular: C14H15N5O2
• Molecular Mass: 285.3012
• Monoisotopic Mass: 285.12257475
• SMILES: c1(c2c(nc(c1)NCCO)[nH]cc2)c1c(nccn1)OC
• Canonical SMILES: OCCNc1cc(c2nccnc2OC)c2c(n1)[nH]cc2
• InChI: InChI=1S/C14H15N5O2/c1-21-14-12(16-4-5-18-14)10-8-11(15-6-7-20)19-13-9(10)2-3-17-13/h2-5,8,20H,6-7H2,1H3,(H2,15,17,19)
• InChIKey: IFYKOGQBGYMDAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[4-(3-methoxypyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino}ethan-1-ol
• IUPAC Traditional name: 2-{[4-(3-methoxypyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino}ethanol
• Synonyms: 2-{[4-(3-methoxypyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino}ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.720043
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 0.6016865
• LogD (pH = 7.4): 0.6330327
• Log P: 0.6334482
• Molar Refractivity: 78.9669 cm^3
• Polarizability: 31.103186 Å^3
• Polar Surface Area: 95.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.06
• LOG S: -2.19
• Polar Surface Area: 95.95 Å^2
• Rotatable Bonds: 5