1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol

C54H66F6N10O6 — CID 158425331

About 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol

1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol (PubChem CID 158425331) has the molecular formula C54H66F6N10O6 and a molecular weight of 1065.17 g/mol. Its IUPAC name is 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol.

Molecular Properties

• Compound Name: 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol
• PubChem CID: 158425331
• Molecular Formula: C54H66F6N10O6
• Molecular Weight: 1065.17 g/mol
• Exact Mass: 1064.51
• IUPAC Name: 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol
• SMILES: CC(C)(C)C(=O)C#Cc1cnc2c(NCCCOC3CCCCO3)nc3cc(C(F)(F)F)ccc3n12.CC(C)(C)c1cc(-c2cnc3c(NCCCOC4CCCCO4)nc4cc(C(F)(F)F)ccc4n23)n[nH]1.CCO
• InChI: InChI=1S/C26H31F3N6O2.C26H29F3N4O3.C2H6O/c1-25(2,3)21-14-18(33-34-21)20-15-31-24-23(30-10-6-12-37-22-7-4-5-11-36-22)32-17-13-16(26(27,28)29)8-9-19(17)35(20)24;1-25(2,3)21(34)11-9-18-16-31-24-23(30-12-6-14-36-22-7-4-5-13-35-22)32-19-15-17(26(27,28)29)8-10-20(19)33(18)24;1-2-3/h8-9,13-15,22H,4-7,10-12H2,1-3H3,(H,30,32)(H,33,34);8,10,15-16,22H,4-7,12-14H2,1-3H3,(H,30,32);3H,2H2,1H3
• InChIKey: HAZCZNQIPALKQK-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 187.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1065.17
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol?

The IUPAC name of 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol (CID 158425331) is 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol.

What is the SMILES notation for 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol?

The canonical SMILES for 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol is CC(C)(C)C(=O)C#Cc1cnc2c(NCCCOC3CCCCO3)nc3cc(C(F)(F)F)ccc3n12.CC(C)(C)c1cc(-c2cnc3c(NCCCOC4CCCCO4)nc4cc(C(F)(F)F)ccc4n23)n[nH]1.CCO.

What is the InChIKey of 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol?

The InChIKey is HAZCZNQIPALKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N6O2.C26H29F3N4O3.C2H6O/c1-25(2,3)21-14-18(33-34-21)20-15-31-24-23(30-10-6-12-37-22-7-4-5-11-36-22)32-17-13-16(26(27,28)29)8-9-19(17)35(20)24;1-25(2,3)21(34)11-9-18-16-31-24-23(30-12-6-14-36-22-7-4-5-13-35-22)32-19-15-17(26(27,28)29)8-10-20(19)33(18)24;1-2-3/h8-9,13-15,22H,4-7,10-12H2,1-3H3,(H,30,32)(H,33,34);8,10,15-16,22H,4-7,12-14H2,1-3H3,(H,30,32);3H,2H2,1H3.

What are the key properties of 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol?

1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol has a molecular weight of 1065.17 g/mol, XLogP of 11.15, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;4,4-dimethyl-1-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]pent-1-yn-3-one;ethanol is sourced from PubChem (CID 158425331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).