1-(4-methylphenyl)-N-{[5-(2-methylpropyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}piperidin-4-amine

• ChemBase ID: 666435
• Molecular Formular: C23H35N5
• Molecular Mass: 381.5575
• Monoisotopic Mass: 381.28924615
• SMILES: n12c(cc(n1)CNC1CCN(c3ccc(cc3)C)CC1)CN(CC2)CC(C)C
• Canonical SMILES: CC(CN1CCn2c(C1)cc(n2)CNC1CCN(CC1)c1ccc(cc1)C)C
• InChI: InChI=1S/C23H35N5/c1-18(2)16-26-12-13-28-23(17-26)14-21(25-28)15-24-20-8-10-27(11-9-20)22-6-4-19(3)5-7-22/h4-7,14,18,20,24H,8-13,15-17H2,1-3H3
• InChIKey: CWEOKEMYCWZCHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylphenyl)-N-{[5-(2-methylpropyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}piperidin-4-amine
• IUPAC Traditional name: 1-(4-methylphenyl)-N-{[5-(2-methylpropyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}piperidin-4-amine
• Synonyms: N-[(5-isobutyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.792221
• LogD (pH = 7.4): 1.7053021
• Log P: 3.4064505
• Molar Refractivity: 128.8734 cm^3
• Polarizability: 45.109108 Å^3
• Polar Surface Area: 36.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.95
• LOG S: -3.49
• Polar Surface Area: 36.33 Å^2
• Rotatable Bonds: 6