N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine

C74H77F3N18O7S — CID 160776902

About N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine

N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine (PubChem CID 160776902) has the molecular formula C74H77F3N18O7S and a molecular weight of 1419.61 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine
• PubChem CID: 160776902
• Molecular Formula: C74H77F3N18O7S
• Molecular Weight: 1419.61 g/mol
• Exact Mass: 1418.59
• IUPAC Name: N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine
• SMILES: COc1cc(OC)cc(N(CCCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(=O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2csc(C)n2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
• InChI: InChI=1S/C26H32N6O2.C24H23F3N6O3.C24H22N6O2S/c1-18(2)27-9-6-10-32(21-11-22(33-4)14-23(12-21)34-5)20-7-8-24-25(13-20)30-26(16-28-24)19-15-29-31(3)17-19;1-32-14-15(12-30-32)22-13-29-20-5-4-16(10-21(20)31-22)33(7-6-28-23(34)24(25,26)27)17-8-18(35-2)11-19(9-17)36-3;1-15-28-17(14-33-15)13-30(19-6-20(31-2)9-21(7-19)32-3)18-4-5-22-23(8-18)29-24(12-25-22)16-10-26-27-11-16/h7-8,11-18,27H,6,9-10H2,1-5H3;4-5,8-14H,6-7H2,1-3H3,(H,28,34);4-12,14H,13H2,1-3H3,(H,26,27)
• InChIKey: SABFYYODEGTFSS-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 260.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1419.61
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	3
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-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine?

The IUPAC name of N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine (CID 160776902) is N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine.

What is the SMILES notation for N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine?

The canonical SMILES for N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine is COc1cc(OC)cc(N(CCCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(=O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2csc(C)n2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.

What is the InChIKey of N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine?

The InChIKey is SABFYYODEGTFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2.C24H23F3N6O3.C24H22N6O2S/c1-18(2)27-9-6-10-32(21-11-22(33-4)14-23(12-21)34-5)20-7-8-24-25(13-20)30-26(16-28-24)19-15-29-31(3)17-19;1-32-14-15(12-30-32)22-13-29-20-5-4-16(10-21(20)31-22)33(7-6-28-23(34)24(25,26)27)17-8-18(35-2)11-19(9-17)36-3;1-15-28-17(14-33-15)13-30(19-6-20(31-2)9-21(7-19)32-3)18-4-5-22-23(8-18)29-24(12-25-22)16-10-26-27-11-16/h7-8,11-18,27H,6,9-10H2,1-5H3;4-5,8-14H,6-7H2,1-3H3,(H,28,34);4-12,14H,13H2,1-3H3,(H,26,27).

What are the key properties of N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine?

N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 1419.61 g/mol, XLogP of 13.58, 25 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 160776902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).