6-{1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl}-1H-pyrrolo[2,3-b]pyridine

• ChemBase ID: 425406
• Molecular Formular: C14H14N4
• Molecular Mass: 238.28776
• Monoisotopic Mass: 238.12184647
• SMILES: n1c(N2Cc3n(ccc3)CC2)ccc2c1[nH]cc2
• Canonical SMILES: c1cc2c([nH]1)nc(cc2)N1CCn2c(C1)ccc2
• InChI: InChI=1S/C14H14N4/c1-2-12-10-18(9-8-17(12)7-1)13-4-3-11-5-6-15-14(11)16-13/h1-7H,8-10H2,(H,15,16)
• InChIKey: JURIXGIZZMGEJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl}-1H-pyrrolo[2,3-b]pyridine
• IUPAC Traditional name: 6-{1H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl}-1H-pyrrolo[2,3-b]pyridine
• Synonyms: 6-(3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-1H-pyrrolo[2,3-b]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.49777
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.202807
• LogD (pH = 7.4): 2.6885262
• Log P: 2.7008083
• Molar Refractivity: 71.8589 cm^3
• Polarizability: 27.132034 Å^3
• Polar Surface Area: 36.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 2.36
• LOG S: -2.95
• Polar Surface Area: 36.85 Å^2
• Rotatable Bonds: 1