N-{[5-(2-methylpropyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}-1,2,3,4-tetrahydronaphthalene-2-carboxamide

• ChemBase ID: 714862
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: n12c(cc(n1)CNC(=O)C1Cc3c(CC1)cccc3)CN(CC2)CC(C)C
• Canonical SMILES: CC(CN1CCn2c(C1)cc(n2)CNC(=O)C1CCc2c(C1)cccc2)C
• InChI: InChI=1S/C22H30N4O/c1-16(2)14-25-9-10-26-21(15-25)12-20(24-26)13-23-22(27)19-8-7-17-5-3-4-6-18(17)11-19/h3-6,12,16,19H,7-11,13-15H2,1-2H3,(H,23,27)
• InChIKey: DKHOMZADTDPQAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(2-methylpropyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}-1,2,3,4-tetrahydronaphthalene-2-carboxamide
• IUPAC Traditional name: N-{[5-(2-methylpropyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}-1,2,3,4-tetrahydronaphthalene-2-carboxamide
• Synonyms: N-[(5-isobutyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.383488
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.72523385
• LogD (pH = 7.4): 2.4935288
• Log P: 3.2329593
• Molar Refractivity: 119.6882 cm^3
• Polarizability: 41.862976 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.5
• LOG S: -4.01
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5