4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine

C104H95FN24O10 — CID 159509009

About 4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine

4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine (PubChem CID 159509009) has the molecular formula C104H95FN24O10 and a molecular weight of 1860.06 g/mol. Its IUPAC name is 4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: 4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine
• PubChem CID: 159509009
• Molecular Formula: C104H95FN24O10
• Molecular Weight: 1860.06 g/mol
• Exact Mass: 1858.76
• IUPAC Name: 4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine
• SMILES: COc1cc(OC)cc(N(CC#CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC#Cc2ncccc2F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2cccc(OC)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ncccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C28H23FN6O2.C27H26N6O3.C25H23N7O2.C24H23N5O3/c1-34-18-19(16-32-34)28-17-31-26-9-8-20(14-27(26)33-28)35(11-5-7-25-24(29)6-4-10-30-25)21-12-22(36-2)15-23(13-21)37-3;1-32-16-18(14-29-32)26-15-28-24-9-8-20(12-25(24)31-26)33(17-19-6-5-7-27(30-19)36-4)21-10-22(34-2)13-23(11-21)35-3;1-31-15-17(13-29-31)24-14-28-22-6-5-18(11-23(22)30-24)32(16-25-26-7-4-8-27-25)19-9-20(33-2)12-21(10-19)34-3;1-28-16-17(14-26-28)24-15-25-22-7-6-18(12-23(22)27-24)29(8-4-5-9-30)19-10-20(31-2)13-21(11-19)32-3/h4,6,8-10,12-18H,11H2,1-3H3;5-16H,17H2,1-4H3;4-15H,16H2,1-3H3;6-7,10-16,30H,8-9H2,1-3H3
• InChIKey: MAJCZNWVKNQYBX-UHFFFAOYSA-N
• XLogP: 16.92
• TPSA: 342.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1860.06
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine?

The IUPAC name of 4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine (CID 159509009) is 4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine.

What is the SMILES notation for 4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine?

The canonical SMILES for 4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine is COc1cc(OC)cc(N(CC#CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC#Cc2ncccc2F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2cccc(OC)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ncccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of 4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine?

The InChIKey is MAJCZNWVKNQYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6O2.C27H26N6O3.C25H23N7O2.C24H23N5O3/c1-34-18-19(16-32-34)28-17-31-26-9-8-20(14-27(26)33-28)35(11-5-7-25-24(29)6-4-10-30-25)21-12-22(36-2)15-23(13-21)37-3;1-32-16-18(14-29-32)26-15-28-24-9-8-20(12-25(24)31-26)33(17-19-6-5-7-27(30-19)36-4)21-10-22(34-2)13-23(11-21)35-3;1-31-15-17(13-29-31)24-14-28-22-6-5-18(11-23(22)30-24)32(16-25-26-7-4-8-27-25)19-9-20(33-2)12-21(10-19)34-3;1-28-16-17(14-26-28)24-15-25-22-7-6-18(12-23(22)27-24)29(8-4-5-9-30)19-10-20(31-2)13-21(11-19)32-3/h4,6,8-10,12-18H,11H2,1-3H3;5-16H,17H2,1-4H3;4-15H,16H2,1-3H3;6-7,10-16,30H,8-9H2,1-3H3.

What are the key properties of 4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine?

4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine has a molecular weight of 1860.06 g/mol, XLogP of 16.92, 27 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)but-2-yn-1-ol;N-(3,5-dimethoxyphenyl)-N-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)quinoxalin-6-amine is sourced from PubChem (CID 159509009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).