3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

C43H35F6IN10O2 — CID 159676233

About 3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 159676233) has the molecular formula C43H35F6IN10O2 and a molecular weight of 964.71 g/mol. Its IUPAC name is 3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

• Compound Name: 3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
• PubChem CID: 159676233
• Molecular Formula: C43H35F6IN10O2
• Molecular Weight: 964.71 g/mol
• Exact Mass: 964.19
• IUPAC Name: 3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
• SMILES: OCCCNc1nc2cc(-c3ccccc3C(F)(F)F)ccc2n2c(-c3ccn[nH]3)cnc12.OCCCNc1nc2cc(-c3ccccc3C(F)(F)F)ccc2n2c(I)cnc12
• InChI: InChI=1S/C23H19F3N6O.C20H16F3IN4O/c24-23(25,26)16-5-2-1-4-15(16)14-6-7-19-18(12-14)30-21(27-9-3-11-33)22-28-13-20(32(19)22)17-8-10-29-31-17;21-20(22,23)14-5-2-1-4-13(14)12-6-7-16-15(10-12)27-18(25-8-3-9-29)19-26-11-17(24)28(16)19/h1-2,4-8,10,12-13,33H,3,9,11H2,(H,27,30)(H,29,31);1-2,4-7,10-11,29H,3,8-9H2,(H,25,27)
• InChIKey: MUPZSVDENGPNAR-UHFFFAOYSA-N
• XLogP: 9.72
• TPSA: 153.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	964.71
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?

The IUPAC name of 3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 159676233) is 3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

What is the SMILES notation for 3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?

The canonical SMILES for 3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is OCCCNc1nc2cc(-c3ccccc3C(F)(F)F)ccc2n2c(-c3ccn[nH]3)cnc12.OCCCNc1nc2cc(-c3ccccc3C(F)(F)F)ccc2n2c(I)cnc12.

What is the InChIKey of 3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?

The InChIKey is MUPZSVDENGPNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O.C20H16F3IN4O/c24-23(25,26)16-5-2-1-4-15(16)14-6-7-19-18(12-14)30-21(27-9-3-11-33)22-28-13-20(32(19)22)17-8-10-29-31-17;21-20(22,23)14-5-2-1-4-13(14)12-6-7-16-15(10-12)27-18(25-8-3-9-29)19-26-11-17(24)28(16)19/h1-2,4-8,10,12-13,33H,3,9,11H2,(H,27,30)(H,29,31);1-2,4-7,10-11,29H,3,8-9H2,(H,25,27).

What are the key properties of 3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?

3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol has a molecular weight of 964.71 g/mol, XLogP of 9.72, 11 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-iodo-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 159676233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).