N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine

C87H86F3N17O6 — CID 157235377

About N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine

N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine (PubChem CID 157235377) has the molecular formula C87H86F3N17O6 and a molecular weight of 1522.75 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine
• PubChem CID: 157235377
• Molecular Formula: C87H86F3N17O6
• Molecular Weight: 1522.75 g/mol
• Exact Mass: 1521.69
• IUPAC Name: N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine
• SMILES: COc1cc(OC)cc(N(CC2CCN(CC(F)(F)F)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCC#Cc2ccccc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@@H]2C[C@H]2c2ccccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C30H27N5O2.C29H28N6O2.C28H31F3N6O2/c1-34-21-23(19-32-34)30-20-31-28-13-12-24(17-29(28)33-30)35(14-8-7-11-22-9-5-4-6-10-22)25-15-26(36-2)18-27(16-25)37-3;1-34-17-20(15-32-34)29-16-31-27-8-7-21(13-28(27)33-29)35(22-11-23(36-2)14-24(12-22)37-3)18-19-10-25(19)26-6-4-5-9-30-26;1-35-17-20(14-33-35)27-15-32-25-5-4-21(12-26(25)34-27)37(22-10-23(38-2)13-24(11-22)39-3)16-19-6-8-36(9-7-19)18-28(29,30)31/h4-6,9-10,12-13,15-21H,8,14H2,1-3H3;4-9,11-17,19,25H,10,18H2,1-3H3;4-5,10-15,17,19H,6-9,16,18H2,1-3H3/t;19-,25+;/m.0./s1
• InChIKey: AUOOBNRYJKUZIK-WDVUEALTSA-N
• XLogP: 16.47
• TPSA: 212.03 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1522.75
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine?

The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine (CID 157235377) is N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine.

What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine is COc1cc(OC)cc(N(CC2CCN(CC(F)(F)F)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCC#Cc2ccccc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@@H]2C[C@H]2c2ccccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine?

The InChIKey is AUOOBNRYJKUZIK-WDVUEALTSA-N. The full InChI is InChI=1S/C30H27N5O2.C29H28N6O2.C28H31F3N6O2/c1-34-21-23(19-32-34)30-20-31-28-13-12-24(17-29(28)33-30)35(14-8-7-11-22-9-5-4-6-10-22)25-15-26(36-2)18-27(16-25)37-3;1-34-17-20(15-32-34)29-16-31-27-8-7-21(13-28(27)33-29)35(22-11-23(36-2)14-24(12-22)37-3)18-19-10-25(19)26-6-4-5-9-30-26;1-35-17-20(14-33-35)27-15-32-25-5-4-21(12-26(25)34-27)37(22-10-23(38-2)13-24(11-22)39-3)16-19-6-8-36(9-7-19)18-28(29,30)31/h4-6,9-10,12-13,15-21H,8,14H2,1-3H3;4-9,11-17,19,25H,10,18H2,1-3H3;4-5,10-15,17,19H,6-9,16,18H2,1-3H3/t;19-,25+;/m.0./s1.

What are the key properties of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine?

N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine has a molecular weight of 1522.75 g/mol, XLogP of 16.47, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(4-phenylbut-3-ynyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinoxalin-6-amine is sourced from PubChem (CID 157235377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).