N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane

C78H94F8N18O5 — CID 157494555

About N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane

N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane (PubChem CID 157494555) has the molecular formula C78H94F8N18O5 and a molecular weight of 1515.71 g/mol. Its IUPAC name is N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane.

Molecular Properties

• Compound Name: N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane
• PubChem CID: 157494555
• Molecular Formula: C78H94F8N18O5
• Molecular Weight: 1515.71 g/mol
• Exact Mass: 1514.75
• IUPAC Name: N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane
• SMILES: C.C.C.COc1cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)cc(F)c1F.COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4C)nc3c2)c1.COc1cc(OC)cc(N(CCNCCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C26H32N6O2.C25H27F3N6O2.C24H23F5N6O.3CH4/c1-17(2)27-9-10-32(20-11-21(33-5)14-22(12-20)34-6)19-7-8-24-25(13-19)30-26(16-28-24)23-15-29-31(4)18(23)3;1-33-16-17(14-31-33)24-15-30-22-5-4-18(12-23(22)32-24)34(9-8-29-7-6-25(26,27)28)19-10-20(35-2)13-21(11-19)36-3;1-34-13-15(11-32-34)21-12-31-19-5-4-16(9-20(19)33-21)35(7-3-6-30-14-24(27,28)29)17-8-18(25)23(26)22(10-17)36-2;;;/h7-8,11-17,27H,9-10H2,1-6H3;4-5,10-16,29H,6-9H2,1-3H3;4-5,8-13,30H,3,6-7,14H2,1-2H3;3*1H4
• InChIKey: BXRBUJDZPKHAFX-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 222.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1515.71
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane?

The IUPAC name of N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane (CID 157494555) is N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane.

What is the SMILES notation for N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane?

The canonical SMILES for N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane is C.C.C.COc1cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)cc(F)c1F.COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4C)nc3c2)c1.COc1cc(OC)cc(N(CCNCCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane?

The InChIKey is BXRBUJDZPKHAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2.C25H27F3N6O2.C24H23F5N6O.3CH4/c1-17(2)27-9-10-32(20-11-21(33-5)14-22(12-20)34-6)19-7-8-24-25(13-19)30-26(16-28-24)23-15-29-31(4)18(23)3;1-33-16-17(14-31-33)24-15-30-22-5-4-18(12-23(22)32-24)34(9-8-29-7-6-25(26,27)28)19-10-20(35-2)13-21(11-19)36-3;1-34-13-15(11-32-34)21-12-31-19-5-4-16(9-20(19)33-21)35(7-3-6-30-14-24(27,28)29)17-8-18(25)23(26)22(10-17)36-2;;;/h7-8,11-17,27H,9-10H2,1-6H3;4-5,10-16,29H,6-9H2,1-3H3;4-5,8-13,30H,3,6-7,14H2,1-2H3;3*1H4.

What are the key properties of N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane?

N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane has a molecular weight of 1515.71 g/mol, XLogP of 16.13, 28 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(3,4-difluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1,5-dimethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine;methane is sourced from PubChem (CID 157494555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).