5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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

C101H109F3N23O14P — CID 158305393

About 5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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

5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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 158305393) has the molecular formula C101H109F3N23O14P and a molecular weight of 1957.10 g/mol. Its IUPAC name is 5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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: 5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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: 158305393
• Molecular Formula: C101H109F3N23O14P
• Molecular Weight: 1957.10 g/mol
• Exact Mass: 1955.82
• IUPAC Name: 5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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(CCCCC(=O)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.COc1cc(OC)cc(N(CCP(=O)(OC)OC)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ncc(C)[nH]2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C27H29F3N6O3.C25H25N7O2.C25H27N5O4.C24H28N5O5P/c1-17(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;1-16-11-27-25(29-16)15-32(19-7-20(33-3)10-21(8-19)34-4)18-5-6-22-23(9-18)30-24(13-26-22)17-12-28-31(2)14-17;1-29-16-17(14-27-29)24-15-26-22-8-7-18(12-23(22)28-24)30(9-5-4-6-25(31)32)19-10-20(33-2)13-21(11-19)34-3;1-28-16-17(14-26-28)24-15-25-22-7-6-18(12-23(22)27-24)29(8-9-35(30,33-4)34-5)19-10-20(31-2)13-21(11-19)32-3/h6-7,10-17H,5,8-9H2,1-4H3,(H,31,37);5-14H,15H2,1-4H3,(H,27,29);7-8,10-16H,4-6,9H2,1-3H3,(H,31,32);6-7,10-16H,8-9H2,1-5H3
• InChIKey: GNAFWXFZJWTMOF-UHFFFAOYSA-N
• XLogP: 18.83
• TPSA: 391.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 37
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1957.10
LogP ≤ 5	18.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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 5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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 158305393) is 5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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 5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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 5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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(CCCCC(=O)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.COc1cc(OC)cc(N(CCP(=O)(OC)OC)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ncc(C)[nH]2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of 5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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 GNAFWXFZJWTMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N6O3.C25H25N7O2.C25H27N5O4.C24H28N5O5P/c1-17(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;1-16-11-27-25(29-16)15-32(19-7-20(33-3)10-21(8-19)34-4)18-5-6-22-23(9-18)30-24(13-26-22)17-12-28-31(2)14-17;1-29-16-17(14-27-29)24-15-26-22-8-7-18(12-23(22)28-24)30(9-5-4-6-25(31)32)19-10-20(33-2)13-21(11-19)34-3;1-28-16-17(14-26-28)24-15-25-22-7-6-18(12-23(22)27-24)29(8-9-35(30,33-4)34-5)19-10-20(31-2)13-21(11-19)32-3/h6-7,10-17H,5,8-9H2,1-4H3,(H,31,37);5-14H,15H2,1-4H3,(H,27,29);7-8,10-16H,4-6,9H2,1-3H3,(H,31,32);6-7,10-16H,8-9H2,1-5H3.

What are the key properties of 5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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?

5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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 1957.10 g/mol, XLogP of 18.83, 37 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)pentanoic acid;N-(3,5-dimethoxyphenyl)-N-(2-dimethoxyphosphorylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(5-methyl-1H-imidazol-2-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 158305393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).