4-{1-[2-methyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl}pyridine

• ChemBase ID: 565709
• Molecular Formular: C20H25N5
• Molecular Mass: 335.446
• Monoisotopic Mass: 335.21099583
• SMILES: n12c(nc(cc1N1CCC(CC1)c1ccncc1)C(C)C)cc(n2)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2N1CCC(CC1)c1ccncc1)C(C)C
• InChI: InChI=1S/C20H25N5/c1-14(2)18-13-20(25-19(22-18)12-15(3)23-25)24-10-6-17(7-11-24)16-4-8-21-9-5-16/h4-5,8-9,12-14,17H,6-7,10-11H2,1-3H3
• InChIKey: NYBHACBNHSNCDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[2-methyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl}pyridine
• IUPAC Traditional name: 4-(1-{5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)pyridine
• Synonyms: 5-isopropyl-2-methyl-7-[4-(4-pyridinyl)-1-piperidinyl]pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1215813
• LogD (pH = 7.4): 3.4043539
• Log P: 3.4100866
• Molar Refractivity: 110.4686 cm^3
• Polarizability: 37.825363 Å^3
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.36
• LOG S: -3.22
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 3