N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide

C114H120ClF3N28O11 — CID 158640033

About N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide

N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide (PubChem CID 158640033) has the molecular formula C114H120ClF3N28O11 and a molecular weight of 2150.85 g/mol. Its IUPAC name is N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide
• PubChem CID: 158640033
• Molecular Formula: C114H120ClF3N28O11
• Molecular Weight: 2150.85 g/mol
• Exact Mass: 2148.93
• IUPAC Name: N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide
• SMILES: COc1cc(OC)cc(N(CC#Cc2cncc(Cl)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CCN(c3nccc(OC)n3)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCCC2C(N)=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNC(=O)C(F)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1
• InChI: InChI=1S/C31H34N8O3.C29H35N7O3.C27H22ClN7O2.C27H29F3N6O3/c1-37-20-22(17-34-37)29-18-33-27-6-5-23(15-28(27)35-29)39(24-13-25(40-2)16-26(14-24)41-3)19-21-8-11-38(12-9-21)31-32-10-7-30(36-31)42-4;1-34-19-20(17-32-34)27-18-31-25-9-8-21(15-26(25)33-27)36(22-13-23(38-2)16-24(14-22)39-3)12-6-11-35-10-5-4-7-28(35)29(30)37;1-34-17-18(13-31-34)26-15-30-24-7-6-20(11-25(24)33-26)35(8-4-5-19-14-29-16-27(28)32-19)21-9-22(36-2)12-23(10-21)37-3;1-17(2)36-16-18(14-33-36)25-15-32-23-7-6-19(12-24(23)34-25)35(9-5-8-31-26(37)27(28,29)30)20-10-21(38-3)13-22(11-20)39-4/h5-7,10,13-18,20-21H,8-9,11-12,19H2,1-4H3;8-9,13-19,28H,4-7,10-12H2,1-3H3,(H2,30,37);6-7,9-17H,8H2,1-3H3;6-7,10-17H,5,8-9H2,1-4H3,(H,31,37)
• InChIKey: IAGKTZSAXOOFEG-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 400.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 35
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2150.85
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide (CID 158640033) is N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide is COc1cc(OC)cc(N(CC#Cc2cncc(Cl)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CCN(c3nccc(OC)n3)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCCC2C(N)=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNC(=O)C(F)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.

What is the InChIKey of N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide?

The InChIKey is IAGKTZSAXOOFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8O3.C29H35N7O3.C27H22ClN7O2.C27H29F3N6O3/c1-37-20-22(17-34-37)29-18-33-27-6-5-23(15-28(27)35-29)39(24-13-25(40-2)16-26(14-24)41-3)19-21-8-11-38(12-9-21)31-32-10-7-30(36-31)42-4;1-34-19-20(17-32-34)27-18-31-25-9-8-21(15-26(25)33-27)36(22-13-23(38-2)16-24(14-22)39-3)12-6-11-35-10-5-4-7-28(35)29(30)37;1-34-17-18(13-31-34)26-15-30-24-7-6-20(11-25(24)33-26)35(8-4-5-19-14-29-16-27(28)32-19)21-9-22(36-2)12-23(10-21)37-3;1-17(2)36-16-18(14-33-36)25-15-32-23-7-6-19(12-24(23)34-25)35(9-5-8-31-26(37)27(28,29)30)20-10-21(38-3)13-22(11-20)39-4/h5-7,10,13-18,20-21H,8-9,11-12,19H2,1-4H3;8-9,13-19,28H,4-7,10-12H2,1-3H3,(H2,30,37);6-7,9-17H,8H2,1-3H3;6-7,10-17H,5,8-9H2,1-4H3,(H,31,37).

What are the key properties of N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide?

N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide has a molecular weight of 2150.85 g/mol, XLogP of 18.80, 35 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6-chloropyrazin-2-yl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-2-carboxamide;N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 158640033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).