2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid

C88H74ClF6N21O4 — CID 159239632

About 2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid

2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid (PubChem CID 159239632) has the molecular formula C88H74ClF6N21O4 and a molecular weight of 1639.14 g/mol. Its IUPAC name is 2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid.

Molecular Properties

• Compound Name: 2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
• PubChem CID: 159239632
• Molecular Formula: C88H74ClF6N21O4
• Molecular Weight: 1639.14 g/mol
• Exact Mass: 1637.58
• IUPAC Name: 2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
• SMILES: CC(=O)Nc1ccc(Nc2nc(-c3ccc4ccccc4c3)cn3ccnc23)cc1.CCN(CCO)c1ccc(Nc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn3ccnc23)cc1.Clc1ccccc1-c1cn2ccnc2c(NCc2ccccn2)n1.O=C(O)c1ccc(-c2cn3ccnc3c(N3CCN(c4ccccn4)CC3)n2)cc1
• InChI: InChI=1S/C24H21F6N5O.C24H19N5O.C22H20N6O2.C18H14ClN5/c1-2-34(9-10-36)19-5-3-18(4-6-19)32-21-22-31-7-8-35(22)14-20(33-21)15-11-16(23(25,26)27)13-17(12-15)24(28,29)30;1-16(30)26-20-8-10-21(11-9-20)27-23-24-25-12-13-29(24)15-22(28-23)19-7-6-17-4-2-3-5-18(17)14-19;29-22(30)17-6-4-16(5-7-17)18-15-28-10-9-24-20(28)21(25-18)27-13-11-26(12-14-27)19-3-1-2-8-23-19;19-15-7-2-1-6-14(15)16-12-24-10-9-21-18(24)17(23-16)22-11-13-5-3-4-8-20-13/h3-8,11-14,36H,2,9-10H2,1H3,(H,32,33);2-15H,1H3,(H,26,30)(H,27,28);1-10,15H,11-14H2,(H,29,30);1-10,12H,11H2,(H,22,23)
• InChIKey: KTXLHDSCMVXKMQ-UHFFFAOYSA-N
• XLogP: 18.12
• TPSA: 278.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1639.14
LogP ≤ 5	18.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?

The IUPAC name of 2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid (CID 159239632) is 2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid.

What is the SMILES notation for 2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?

The canonical SMILES for 2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid is CC(=O)Nc1ccc(Nc2nc(-c3ccc4ccccc4c3)cn3ccnc23)cc1.CCN(CCO)c1ccc(Nc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn3ccnc23)cc1.Clc1ccccc1-c1cn2ccnc2c(NCc2ccccn2)n1.O=C(O)c1ccc(-c2cn3ccnc3c(N3CCN(c4ccccn4)CC3)n2)cc1.

What is the InChIKey of 2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?

The InChIKey is KTXLHDSCMVXKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F6N5O.C24H19N5O.C22H20N6O2.C18H14ClN5/c1-2-34(9-10-36)19-5-3-18(4-6-19)32-21-22-31-7-8-35(22)14-20(33-21)15-11-16(23(25,26)27)13-17(12-15)24(28,29)30;1-16(30)26-20-8-10-21(11-9-20)27-23-24-25-12-13-29(24)15-22(28-23)19-7-6-17-4-2-3-5-18(17)14-19;29-22(30)17-6-4-16(5-7-17)18-15-28-10-9-24-20(28)21(25-18)27-13-11-26(12-14-27)19-3-1-2-8-23-19;19-15-7-2-1-6-14(15)16-12-24-10-9-21-18(24)17(23-16)22-11-13-5-3-4-8-20-13/h3-8,11-14,36H,2,9-10H2,1H3,(H,32,33);2-15H,1H3,(H,26,30)(H,27,28);1-10,15H,11-14H2,(H,29,30);1-10,12H,11H2,(H,22,23).

What are the key properties of 2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?

2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid has a molecular weight of 1639.14 g/mol, XLogP of 18.12, 19 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid is sourced from PubChem (CID 159239632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).