2,3,5-trimethyl-N-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 684643
• Molecular Formular: C20H26N6O
• Molecular Mass: 366.46004
• Monoisotopic Mass: 366.21680948
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCC(N1CCOCC1)c1cnccc1)C
• Canonical SMILES: Cc1cc(NCC(c2cccnc2)N2CCOCC2)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C20H26N6O/c1-14-11-19(26-20(23-14)15(2)16(3)24-26)22-13-18(17-5-4-6-21-12-17)25-7-9-27-10-8-25/h4-6,11-12,18,22H,7-10,13H2,1-3H3
• InChIKey: PVCWNJWHUXAHAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-trimethyl-N-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 2,3,5-trimethyl-N-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 2,3,5-trimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.588839
• LogD (pH = 7.4): 1.3320271
• Log P: 1.3579153
• Molar Refractivity: 116.6644 cm^3
• Polarizability: 40.039227 Å^3
• Polar Surface Area: 67.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.5
• LOG S: -0.85
• Polar Surface Area: 67.58 Å^2
• Rotatable Bonds: 5