N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

C71H76F3N19O6 — CID 157477793

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 157477793) has the molecular formula C71H76F3N19O6 and a molecular weight of 1348.51 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

• Compound Name: N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
• PubChem CID: 157477793
• Molecular Formula: C71H76F3N19O6
• Molecular Weight: 1348.51 g/mol
• Exact Mass: 1347.62
• IUPAC Name: N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
• SMILES: COc1cc(OC)cc(N(CC2=NCCN2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)[C@@H](C)CN)c1
• InChI: InChI=1S/C24H25F3N6O2.C24H25N7O2.C23H26N6O2/c1-34-19-8-18(9-20(11-19)35-2)33(7-3-6-28-15-24(25,26)27)17-4-5-21-22(10-17)32-23(14-29-21)16-12-30-31-13-16;1-30-14-16(12-28-30)23-13-27-21-5-4-17(10-22(21)29-23)31(15-24-25-6-7-26-24)18-8-19(32-2)11-20(9-18)33-3;1-15(11-24)29(18-7-19(30-3)10-20(8-18)31-4)17-5-6-21-22(9-17)27-23(13-25-21)16-12-26-28(2)14-16/h4-5,8-14,28H,3,6-7,15H2,1-2H3,(H,30,31);4-5,8-14H,6-7,15H2,1-3H3,(H,25,26);5-10,12-15H,11,24H2,1-4H3/t;;15-/m..0/s1
• InChIKey: BVUKPKWMDMSQRU-BDPULHTRSA-N
• XLogP: 11.44
• TPSA: 269.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1348.51
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 157477793) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is COc1cc(OC)cc(N(CC2=NCCN2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)[C@@H](C)CN)c1.

What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The InChIKey is BVUKPKWMDMSQRU-BDPULHTRSA-N. The full InChI is InChI=1S/C24H25F3N6O2.C24H25N7O2.C23H26N6O2/c1-34-19-8-18(9-20(11-19)35-2)33(7-3-6-28-15-24(25,26)27)17-4-5-21-22(10-17)32-23(14-29-21)16-12-30-31-13-16;1-30-14-16(12-28-30)23-13-27-21-5-4-17(10-22(21)29-23)31(15-24-25-6-7-26-24)18-8-19(32-2)11-20(9-18)33-3;1-15(11-24)29(18-7-19(30-3)10-20(8-18)31-4)17-5-6-21-22(9-17)27-23(13-25-21)16-12-26-28(2)14-16/h4-5,8-14,28H,3,6-7,15H2,1-2H3,(H,30,31);4-5,8-14H,6-7,15H2,1-3H3,(H,25,26);5-10,12-15H,11,24H2,1-4H3/t;;15-/m..0/s1.

What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 1348.51 g/mol, XLogP of 11.44, 24 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;(2S)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 157477793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).