4-(4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-1,3-dimethyl-1H-pyrazol-5-yl)morpholine

• ChemBase ID: 413124
• Molecular Formular: C15H22N6O
• Molecular Mass: 302.37478
• Monoisotopic Mass: 302.18550935
• SMILES: c1(c(n(nc1C)C)N1CCOCC1)C1c2nc[nH]c2CCN1
• Canonical SMILES: Cc1nn(c(c1C1NCCc2c1nc[nH]2)N1CCOCC1)C
• InChI: InChI=1S/C15H22N6O/c1-10-12(14-13-11(3-4-16-14)17-9-18-13)15(20(2)19-10)21-5-7-22-8-6-21/h9,14,16H,3-8H2,1-2H3,(H,17,18)
• InChIKey: UWLXFZSMCCOEHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-1,3-dimethyl-1H-pyrazol-5-yl)morpholine
• IUPAC Traditional name: 4-(4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-2,5-dimethylpyrazol-3-yl)morpholine
• Synonyms: 4-(1,3-dimethyl-5-morpholin-4-yl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.94186
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.4896392
• LogD (pH = 7.4): -0.41328308
• Log P: -0.29972127
• Molar Refractivity: 95.6453 cm^3
• Polarizability: 31.787289 Å^3
• Polar Surface Area: 71.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.82
• LOG S: -1.0
• Polar Surface Area: 71.0 Å^2
• Rotatable Bonds: 2