2-({3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}methyl)-1-(2-methoxyethyl)-1H-imidazole

• ChemBase ID: 411073
• Molecular Formular: C16H23N5O
• Molecular Mass: 301.38672
• Monoisotopic Mass: 301.19026038
• SMILES: c12c(n[nH]c1CCN(C2)Cc1n(ccn1)CCOC)C1CC1
• Canonical SMILES: COCCn1ccnc1CN1CCc2c(C1)c(n[nH]2)C1CC1
• InChI: InChI=1S/C16H23N5O/c1-22-9-8-21-7-5-17-15(21)11-20-6-4-14-13(10-20)16(19-18-14)12-2-3-12/h5,7,12H,2-4,6,8-11H2,1H3,(H,18,19)
• InChIKey: DSSQKIPJQBJDTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}methyl)-1-(2-methoxyethyl)-1H-imidazole
• IUPAC Traditional name: 2-({3-cyclopropyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}methyl)-1-(2-methoxyethyl)imidazole
• Synonyms: 3-cyclopropyl-5-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.696145
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.67247003
• LogD (pH = 7.4): 0.60615695
• Log P: 0.7170512
• Molar Refractivity: 86.4109 cm^3
• Polarizability: 32.480663 Å^3
• Polar Surface Area: 58.97 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.17
• LOG S: -1.39
• Polar Surface Area: 58.97 Å^2
• Rotatable Bonds: 6