7-methyl-3-[5-(pyridin-3-ylmethyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl]quinolin-2-ol

• ChemBase ID: 471353
• Molecular Formular: C22H21N5O
• Molecular Mass: 371.43504
• Monoisotopic Mass: 371.17461032
• SMILES: c1(C2c3c([nH]cn3)CCN2Cc2cnccc2)c(nc2c(c1)ccc(c2)C)O
• Canonical SMILES: Cc1ccc2c(c1)nc(c(c2)C1N(CCc2c1nc[nH]2)Cc1cccnc1)O
• InChI: InChI=1S/C22H21N5O/c1-14-4-5-16-10-17(22(28)26-19(16)9-14)21-20-18(24-13-25-20)6-8-27(21)12-15-3-2-7-23-11-15/h2-5,7,9-11,13,21H,6,8,12H2,1H3,(H,24,25)(H,26,28)
• InChIKey: NWTASACSNFCIJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-3-[5-(pyridin-3-ylmethyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl]quinolin-2-ol
• IUPAC Traditional name: 7-methyl-3-[5-(pyridin-3-ylmethyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-4-yl]quinolin-2-ol
• Synonyms: 7-methyl-3-[5-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]quinolin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.606626
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.69639
• LogD (pH = 7.4): 2.8938885
• Log P: 3.014031
• Molar Refractivity: 108.4013 cm^3
• Polarizability: 42.509995 Å^3
• Polar Surface Area: 77.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.13
• LOG S: -0.56
• Polar Surface Area: 77.93 Å^2
• Rotatable Bonds: 3