N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

C142H151F4N33O11 — CID 159039205

About N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 159039205) has the molecular formula C142H151F4N33O11 and a molecular weight of 2571.98 g/mol. Its IUPAC name is N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

• Compound Name: N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
• PubChem CID: 159039205
• Molecular Formula: C142H151F4N33O11
• Molecular Weight: 2571.98 g/mol
• Exact Mass: 2570.22
• IUPAC Name: N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
• SMILES: COc1cc(F)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN(C)Cc2ccccc2)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCN(C3CCN(C(C)=O)CC3)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccncc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2cnccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C34H38N6O3.C33H42N8O3.C26H24N6O2.C25H23N7O2.C24H24F4N6O/c1-38(23-25-9-5-4-6-10-25)14-15-39(28-17-29(41-2)20-30(18-28)42-3)27-12-13-31-32(19-27)37-33(22-35-31)26-21-36-40(24-26)34-11-7-8-16-43-34;1-24(42)39-9-7-26(8-10-39)40-14-11-38(12-15-40)13-16-41(28-17-29(43-3)20-30(18-28)44-4)27-5-6-31-32(19-27)36-33(22-34-31)25-21-35-37(2)23-25;1-31-17-19(14-29-31)26-15-28-24-5-4-20(12-25(24)30-26)32(16-18-6-8-27-9-7-18)21-10-22(33-2)13-23(11-21)34-3;1-31-15-17(12-29-31)25-14-28-23-5-4-19(10-24(23)30-25)32(16-18-13-26-6-7-27-18)20-8-21(33-2)11-22(9-20)34-3;1-33-14-16(12-31-33)23-13-30-21-5-4-18(11-22(21)32-23)34(7-3-6-29-15-24(26,27)28)19-8-17(25)9-20(10-19)35-2/h4-6,9-10,12-13,17-22,24,34H,7-8,11,14-16,23H2,1-3H3;5-6,17-23,26H,7-16H2,1-4H3;4-15,17H,16H2,1-3H3;4-15H,16H2,1-3H3;4-5,8-14,29H,3,6-7,15H2,1-2H3
• InChIKey: JVVNFOSAEKBAGH-UHFFFAOYSA-N
• XLogP: 24.11
• TPSA: 407.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 43
• Rotatable Bonds: 43
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2571.98
LogP ≤ 5	24.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The IUPAC name of N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 159039205) is N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

What is the SMILES notation for N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The canonical SMILES for N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is COc1cc(F)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN(C)Cc2ccccc2)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCN(C3CCN(C(C)=O)CC3)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccncc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2cnccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The InChIKey is JVVNFOSAEKBAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O3.C33H42N8O3.C26H24N6O2.C25H23N7O2.C24H24F4N6O/c1-38(23-25-9-5-4-6-10-25)14-15-39(28-17-29(41-2)20-30(18-28)42-3)27-12-13-31-32(19-27)37-33(22-35-31)26-21-36-40(24-26)34-11-7-8-16-43-34;1-24(42)39-9-7-26(8-10-39)40-14-11-38(12-15-40)13-16-41(28-17-29(43-3)20-30(18-28)44-4)27-5-6-31-32(19-27)36-33(22-34-31)25-21-35-37(2)23-25;1-31-17-19(14-29-31)26-15-28-24-5-4-20(12-25(24)30-26)32(16-18-6-8-27-9-7-18)21-10-22(33-2)13-23(11-21)34-3;1-31-15-17(12-29-31)25-14-28-23-5-4-19(10-24(23)30-25)32(16-18-13-26-6-7-27-18)20-8-21(33-2)11-22(9-20)34-3;1-33-14-16(12-31-33)23-13-30-21-5-4-18(11-22(21)32-23)34(7-3-6-29-15-24(26,27)28)19-8-17(25)9-20(10-19)35-2/h4-6,9-10,12-13,17-22,24,34H,7-8,11,14-16,23H2,1-3H3;5-6,17-23,26H,7-16H2,1-4H3;4-15,17H,16H2,1-3H3;4-15H,16H2,1-3H3;4-5,8-14,29H,3,6-7,15H2,1-2H3.

What are the key properties of N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 2571.98 g/mol, XLogP of 24.11, 43 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 159039205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).