tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine

C105H119ClF4N24O8 — CID 157407000

About tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine

tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine (PubChem CID 157407000) has the molecular formula C105H119ClF4N24O8 and a molecular weight of 1956.71 g/mol. Its IUPAC name is tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine
• PubChem CID: 157407000
• Molecular Formula: C105H119ClF4N24O8
• Molecular Weight: 1956.71 g/mol
• Exact Mass: 1954.93
• IUPAC Name: tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine
• SMILES: COc1cc(F)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCC2CCN(C(=O)OC(C)(C)C)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
• InChI: InChI=1S/C32H40N6O4.C25H27F3N6O2.C25H27FN6O.C23H25ClN6O/c1-32(2,3)42-31(39)37-12-9-22(10-13-37)11-14-38(25-15-26(40-5)18-27(16-25)41-6)24-7-8-28-29(17-24)35-30(20-33-28)23-19-34-36(4)21-23;1-33-15-17(13-31-33)24-14-30-22-6-5-18(11-23(22)32-24)34(8-4-7-29-16-25(26,27)28)19-9-20(35-2)12-21(10-19)36-3;1-33-22-12-19(26)11-21(13-22)32(10-4-9-31-7-2-3-8-31)20-5-6-23-24(14-20)30-25(17-27-23)18-15-28-29-16-18;1-15(2)25-8-9-30(23-11-18(31-3)5-6-19(23)24)17-4-7-20-21(10-17)29-22(14-26-20)16-12-27-28-13-16/h7-8,15-22H,9-14H2,1-6H3;5-6,9-15,29H,4,7-8,16H2,1-3H3;5-6,11-17H,2-4,7-10H2,1H3,(H,28,29);4-7,10-15,25H,8-9H2,1-3H3,(H,27,28)
• InChIKey: BNVIOYRHRSSFFL-UHFFFAOYSA-N
• XLogP: 20.56
• TPSA: 321.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 34
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1956.71
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine?

The IUPAC name of tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine (CID 157407000) is tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine.

What is the SMILES notation for tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine?

The canonical SMILES for tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine is COc1cc(F)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCC2CCN(C(=O)OC(C)(C)C)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.

What is the InChIKey of tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine?

The InChIKey is BNVIOYRHRSSFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O4.C25H27F3N6O2.C25H27FN6O.C23H25ClN6O/c1-32(2,3)42-31(39)37-12-9-22(10-13-37)11-14-38(25-15-26(40-5)18-27(16-25)41-6)24-7-8-28-29(17-24)35-30(20-33-28)23-19-34-36(4)21-23;1-33-15-17(13-31-33)24-14-30-22-6-5-18(11-23(22)32-24)34(8-4-7-29-16-25(26,27)28)19-9-20(35-2)12-21(10-19)36-3;1-33-22-12-19(26)11-21(13-22)32(10-4-9-31-7-2-3-8-31)20-5-6-23-24(14-20)30-25(17-27-23)18-15-28-29-16-18;1-15(2)25-8-9-30(23-11-18(31-3)5-6-19(23)24)17-4-7-20-21(10-17)29-22(14-26-20)16-12-27-28-13-16/h7-8,15-22H,9-14H2,1-6H3;5-6,9-15,29H,4,7-8,16H2,1-3H3;5-6,11-17H,2-4,7-10H2,1H3,(H,28,29);4-7,10-15,25H,8-9H2,1-3H3,(H,27,28).

What are the key properties of tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine?

tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine has a molecular weight of 1956.71 g/mol, XLogP of 20.56, 34 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine is sourced from PubChem (CID 157407000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).