5-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 409014
• Molecular Formular: C18H28N6
• Molecular Mass: 328.45512
• Monoisotopic Mass: 328.23754493
• SMILES: n12c(nc(cc1NCC1(N3CCN(CC3)C)CCCC1)C)ccn2
• Canonical SMILES: CN1CCN(CC1)C1(CCCC1)CNc1cc(C)nc2n1ncc2
• InChI: InChI=1S/C18H28N6/c1-15-13-17(24-16(21-15)5-8-20-24)19-14-18(6-3-4-7-18)23-11-9-22(2)10-12-23/h5,8,13,19H,3-4,6-7,9-12,14H2,1-2H3
• InChIKey: GZZSNAGNUOQRAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-methyl-N-{[1-(4-methyl-1-piperazinyl)cyclopentyl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.57
• LOG S: -1.93
• Polar Surface Area: 48.7 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 1

JChem

• Molar Refractivity: 108.1842 cm^3
• Polarizability: 37.138218 Å^3
• Polar Surface Area: 48.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.5694427
• LogD (pH = 7.4): 0.121710956
• Log P: 1.4906466