N-cyclohexyl-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-amido}piperidine-1-carboxamide

• ChemBase ID: 328738
• Molecular Formular: C19H30N6O2
• Molecular Mass: 374.4805
• Monoisotopic Mass: 374.24302423
• SMILES: c1(nn2c(c1)CNCC2)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)NC(=O)c1cc2n(n1)CCNC2)NC1CCCCC1
• InChI: InChI=1S/C19H30N6O2/c26-18(17-12-16-13-20-8-11-25(16)23-17)21-15-6-9-24(10-7-15)19(27)22-14-4-2-1-3-5-14/h12,14-15,20H,1-11,13H2,(H,21,26)(H,22,27)
• InChIKey: YJODJVVGUQLXBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-amido}piperidine-1-carboxamide
• IUPAC Traditional name: N-cyclohexyl-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-amido}piperidine-1-carboxamide
• Synonyms: N-{1-[(cyclohexylamino)carbonyl]piperidin-4-yl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.085365
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.597957
• LogD (pH = 7.4): -0.106358096
• Log P: 0.111199096
• Molar Refractivity: 114.0309 cm^3
• Polarizability: 39.241306 Å^3
• Polar Surface Area: 91.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.35
• LOG S: -2.23
• Polar Surface Area: 91.29 Å^2
• Rotatable Bonds: 3