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

• ChemBase ID: 582421
• Molecular Formular: C18H22N6
• Molecular Mass: 322.40748
• Monoisotopic Mass: 322.19059473
• SMILES: n12c(nc(cc1NCCC1N(CCC1)C)c1ccncc1)ccn2
• Canonical SMILES: CN1CCCC1CCNc1cc(nc2n1ncc2)c1ccncc1
• InChI: InChI=1S/C18H22N6/c1-23-12-2-3-15(23)6-10-20-18-13-16(14-4-8-19-9-5-14)22-17-7-11-21-24(17)18/h4-5,7-9,11,13,15,20H,2-3,6,10,12H2,1H3
• InChIKey: MYAYCZSDOMDSQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-5-(4-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.8041627
• LogD (pH = 7.4): -0.46558952
• Log P: 1.5746138
• Molar Refractivity: 105.9237 cm^3
• Polarizability: 37.28364 Å^3
• Polar Surface Area: 58.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.79
• LOG S: -2.07
• Polar Surface Area: 58.35 Å^2
• Rotatable Bonds: 5