N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol

C105H115F3N24O10 — CID 158346487

About N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol

N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol (PubChem CID 158346487) has the molecular formula C105H115F3N24O10 and a molecular weight of 1930.23 g/mol. Its IUPAC name is N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol.

Molecular Properties

• Compound Name: N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol
• PubChem CID: 158346487
• Molecular Formula: C105H115F3N24O10
• Molecular Weight: 1930.23 g/mol
• Exact Mass: 1928.92
• IUPAC Name: N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol
• SMILES: CCc1c(-c2cnc3ccc(N(CCNCC(F)(F)F)c4cc(OC)cc(OC)c4)cc3n2)cnn1C.CCc1c(-c2cnc3ccc(N(CCO)c4cc(OC)cc(OC)c4)cc3n2)cnn1C.COc1cc(OC)cc(N(CC#Cc2nccc(OC)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4c(C)nn(C)c4C)nc3c2)c1
• InChI: InChI=1S/C28H25N7O3.C27H34N6O2.C26H29F3N6O2.C24H27N5O3/c1-34-18-19(16-31-34)26-17-30-24-8-7-20(14-25(24)32-26)35(21-12-22(36-2)15-23(13-21)37-3)11-5-6-27-29-10-9-28(33-27)38-4;1-17(2)28-10-11-33(21-12-22(34-6)15-23(13-21)35-7)20-8-9-24-25(14-20)30-26(16-29-24)27-18(3)31-32(5)19(27)4;1-5-25-21(14-32-34(25)2)24-15-31-22-7-6-17(12-23(22)33-24)35(9-8-30-16-26(27,28)29)18-10-19(36-3)13-20(11-18)37-4;1-5-24-20(14-26-28(24)2)23-15-25-21-7-6-16(12-22(21)27-23)29(8-9-30)17-10-18(31-3)13-19(11-17)32-4/h7-10,12-18H,11H2,1-4H3;8-9,12-17,28H,10-11H2,1-7H3;6-7,10-15,30H,5,8-9,16H2,1-4H3;6-7,10-15,30H,5,8-9H2,1-4H3
• InChIKey: GRUGZNZXIUPMAX-UHFFFAOYSA-N
• XLogP: 17.48
• TPSA: 340.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 34
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.23
LogP ≤ 5	17.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

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 N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol?

The IUPAC name of N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol (CID 158346487) is N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol.

What is the SMILES notation for N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol?

The canonical SMILES for N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol is CCc1c(-c2cnc3ccc(N(CCNCC(F)(F)F)c4cc(OC)cc(OC)c4)cc3n2)cnn1C.CCc1c(-c2cnc3ccc(N(CCO)c4cc(OC)cc(OC)c4)cc3n2)cnn1C.COc1cc(OC)cc(N(CC#Cc2nccc(OC)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4c(C)nn(C)c4C)nc3c2)c1.

What is the InChIKey of N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol?

The InChIKey is GRUGZNZXIUPMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O3.C27H34N6O2.C26H29F3N6O2.C24H27N5O3/c1-34-18-19(16-31-34)26-17-30-24-8-7-20(14-25(24)32-26)35(21-12-22(36-2)15-23(13-21)37-3)11-5-6-27-29-10-9-28(33-27)38-4;1-17(2)28-10-11-33(21-12-22(34-6)15-23(13-21)35-7)20-8-9-24-25(14-20)30-26(16-29-24)27-18(3)31-32(5)19(27)4;1-5-25-21(14-32-34(25)2)24-15-31-22-7-6-17(12-23(22)33-24)35(9-8-30-16-26(27,28)29)18-10-19(36-3)13-20(11-18)37-4;1-5-24-20(14-26-28(24)2)23-15-25-21-7-6-16(12-22(21)27-23)29(8-9-30)17-10-18(31-3)13-19(11-17)32-4/h7-10,12-18H,11H2,1-4H3;8-9,12-17,28H,10-11H2,1-7H3;6-7,10-15,30H,5,8-9,16H2,1-4H3;6-7,10-15,30H,5,8-9H2,1-4H3.

What are the key properties of N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol?

N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol has a molecular weight of 1930.23 g/mol, XLogP of 17.48, 34 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(3,5-dimethoxyphenyl)-N'-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol is sourced from PubChem (CID 158346487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).