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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane

C79H85F3N18O8 — CID 157177189

IUPACN'-(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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane
SMILESC.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
InChIInChI=1S/C28H25N7O3.C26H29F3N6O2.C24H27N5O3.CH4/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;1-5-25-21(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;6-7,10-15,30H,5,8-9,16H2,1-4H3;6-7,10-15,30H,5,8-9H2,1-4H3;1H4
InChIKeyAODMUVVOOQWKOQ-UHFFFAOYSA-N
MW1471.66 g/mol
LogP13.31
Rot. Bonds25

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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane

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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane (PubChem CID 157177189) has the molecular formula C79H85F3N18O8 and a molecular weight of 1471.66 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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane.

Molecular Properties

Compound NameN'-(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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane
PubChem CID157177189
Molecular FormulaC79H85F3N18O8
Molecular Weight1471.66 g/mol
Exact Mass1470.67
IUPAC NameN'-(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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane
SMILESC.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
InChIInChI=1S/C28H25N7O3.C26H29F3N6O2.C24H27N5O3.CH4/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;1-5-25-21(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;6-7,10-15,30H,5,8-9,16H2,1-4H3;6-7,10-15,30H,5,8-9H2,1-4H3;1H4
InChIKeyAODMUVVOOQWKOQ-UHFFFAOYSA-N
XLogP13.31
TPSA263.17 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001471.66
LogP ≤ 513.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane with MolForge

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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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane?
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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane (CID 157177189) 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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane.
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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane?
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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane is C.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.
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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane?
The InChIKey is AODMUVVOOQWKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O3.C26H29F3N6O2.C24H27N5O3.CH4/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;1-5-25-21(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;6-7,10-15,30H,5,8-9,16H2,1-4H3;6-7,10-15,30H,5,8-9H2,1-4H3;1H4.
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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane?
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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane has a molecular weight of 1471.66 g/mol, XLogP of 13.31, 25 rotatable bonds, 2 hydrogen bond donors, and 26 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;2-(N-[3-(5-ethyl-1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol;methane is sourced from PubChem (CID 157177189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).