3-chloro-7-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-1H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 345950
• Molecular Formular: C12H11ClN6
• Molecular Mass: 274.70894
• Monoisotopic Mass: 274.07337206
• SMILES: c12C(c3c4[nH]nc(c4cnc3)Cl)NCCc2[nH]cn1
• Canonical SMILES: Clc1n[nH]c2c1cncc2C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C12H11ClN6/c13-12-7-4-14-3-6(9(7)18-19-12)10-11-8(1-2-15-10)16-5-17-11/h3-5,10,15H,1-2H2,(H,16,17)(H,18,19)
• InChIKey: WPGRMEQFHIVMEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-7-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-1H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 3-chloro-7-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-1H-pyrazolo[4,3-c]pyridine
• Synonyms: 3-chloro-7-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.097782
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.5530562
• LogD (pH = 7.4): -0.17337507
• Log P: -0.021608222
• Molar Refractivity: 73.1183 cm^3
• Polarizability: 28.353155 Å^3
• Polar Surface Area: 82.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.27
• LOG S: -1.73
• Polar Surface Area: 82.28 Å^2
• Rotatable Bonds: 1