{5-[4-(propan-2-yl)pyrimidin-2-yl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol

• ChemBase ID: 484358
• Molecular Formular: C14H19N5O
• Molecular Mass: 273.33356
• Monoisotopic Mass: 273.15896025
• SMILES: c12c([nH]nc2CO)CCN(c2nc(ccn2)C(C)C)C1
• Canonical SMILES: OCc1n[nH]c2c1CN(CC2)c1nccc(n1)C(C)C
• InChI: InChI=1S/C14H19N5O/c1-9(2)11-3-5-15-14(16-11)19-6-4-12-10(7-19)13(8-20)18-17-12/h3,5,9,20H,4,6-8H2,1-2H3,(H,17,18)
• InChIKey: WZEFAJSCVJWGCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-[4-(propan-2-yl)pyrimidin-2-yl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol
• IUPAC Traditional name: [5-(4-isopropylpyrimidin-2-yl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]methanol
• Synonyms: [5-(4-isopropylpyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.224692
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.2758595
• LogD (pH = 7.4): 1.2853026
• Log P: 1.2854251
• Molar Refractivity: 78.781 cm^3
• Polarizability: 28.711946 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: 4
• H Donor: 2
• Log P: 1.38
• LOG S: -2.41
• Polar Surface Area: 77.93 Å^2
• Rotatable Bonds: 3