2-{3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-4-methylpyrimidine

• ChemBase ID: 738751
• Molecular Formular: C14H17N5
• Molecular Mass: 255.31828
• Monoisotopic Mass: 255.14839557
• SMILES: c12c(n[nH]c1CCN(c1nc(ccn1)C)C2)C1CC1
• Canonical SMILES: Cc1ccnc(n1)N1CCc2c(C1)c(n[nH]2)C1CC1
• InChI: InChI=1S/C14H17N5/c1-9-4-6-15-14(16-9)19-7-5-12-11(8-19)13(18-17-12)10-2-3-10/h4,6,10H,2-3,5,7-8H2,1H3,(H,17,18)
• InChIKey: LWWIVYUXLNJMDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.689199
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6217223
• LogD (pH = 7.4): 1.6387264
• Log P: 1.6389471
• Molar Refractivity: 75.2766 cm^3
• Polarizability: 27.276104 Å^3
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.57
• LOG S: -3.26
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 2