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

• ChemBase ID: 445760
• Molecular Formular: C23H30N4O
• Molecular Mass: 378.5105
• Monoisotopic Mass: 378.2419616
• SMILES: c12n(nc(c1)CNC(=O)C1c3c(CC1)cccc3)CCN(C2)C1CCCCC1
• Canonical SMILES: O=C(C1CCc2c1cccc2)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• InChI: InChI=1S/C23H30N4O/c28-23(22-11-10-17-6-4-5-9-21(17)22)24-15-18-14-20-16-26(12-13-27(20)25-18)19-7-2-1-3-8-19/h4-6,9,14,19,22H,1-3,7-8,10-13,15-16H2,(H,24,28)
• InChIKey: NSIMHNDJSTXMHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.048881
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1496218
• LogD (pH = 7.4): 2.8585944
• Log P: 3.3433578
• Molar Refractivity: 122.3572 cm^3
• Polarizability: 42.972878 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.57
• LOG S: -4.15
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4