5-(propan-2-yl)-4-{pyrazolo[1,5-a]pyridin-7-yl}pyrimidine

• ChemBase ID: 862768
• Molecular Formular: C14H14N4
• Molecular Mass: 238.28776
• Monoisotopic Mass: 238.12184647
• SMILES: c1(n2c(ccn2)ccc1)c1c(C(C)C)cncn1
• Canonical SMILES: CC(c1cncnc1c1cccc2n1ncc2)C
• InChI: InChI=1S/C14H14N4/c1-10(2)12-8-15-9-16-14(12)13-5-3-4-11-6-7-17-18(11)13/h3-10H,1-2H3
• InChIKey: FYZSEIYLVZOFQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(propan-2-yl)-4-{pyrazolo[1,5-a]pyridin-7-yl}pyrimidine
• IUPAC Traditional name: 5-isopropyl-4-{pyrazolo[1,5-a]pyridin-7-yl}pyrimidine
• Synonyms: 7-(5-isopropyl-4-pyrimidinyl)pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7776413
• LogD (pH = 7.4): 2.7777572
• Log P: 2.7777586
• Molar Refractivity: 81.4747 cm^3
• Polarizability: 28.61418 Å^3
• Polar Surface Area: 43.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.37
• LOG S: -2.96
• Polar Surface Area: 43.08 Å^2
• Rotatable Bonds: 2