N-{5H,6H,7H-cyclopenta[b]pyridin-7-yl}-1H-pyrrolo[2,3-b]pyridin-6-amine

• ChemBase ID: 727106
• Molecular Formular: C15H14N4
• Molecular Mass: 250.29846
• Monoisotopic Mass: 250.12184647
• SMILES: n1c2[nH]ccc2ccc1NC1c2ncccc2CC1
• Canonical SMILES: c1ccc2c(n1)C(CC2)Nc1ccc2c(n1)[nH]cc2
• InChI: InChI=1S/C15H14N4/c1-2-10-3-5-12(14(10)16-8-1)18-13-6-4-11-7-9-17-15(11)19-13/h1-2,4,6-9,12H,3,5H2,(H2,17,18,19)
• InChIKey: QYJRQJJGBQQOPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H-cyclopenta[b]pyridin-7-yl}-1H-pyrrolo[2,3-b]pyridin-6-amine
• IUPAC Traditional name: N-{5H,6H,7H-cyclopenta[b]pyridin-7-yl}-1H-pyrrolo[2,3-b]pyridin-6-amine
• Synonyms: N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.503774
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9503849
• LogD (pH = 7.4): 2.555424
• Log P: 2.573719
• Molar Refractivity: 75.0369 cm^3
• Polarizability: 28.53265 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.0
• LOG S: -1.43
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 2