1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine

C107H119F3N26O8 — CID 157477559

About 1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine

1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine (PubChem CID 157477559) has the molecular formula C107H119F3N26O8 and a molecular weight of 1954.30 g/mol. Its IUPAC name is 1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine.

Molecular Properties

• Compound Name: 1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine
• PubChem CID: 157477559
• Molecular Formula: C107H119F3N26O8
• Molecular Weight: 1954.30 g/mol
• Exact Mass: 1952.97
• IUPAC Name: 1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine
• SMILES: CCCCN(c1cc(OC)c(C(O)C(F)(F)F)c(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCN(C)Cc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2cnc(C)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2nccc2C)c2ccc3ncc(-c4cnn(CC(C)C)c4)nc3c2)c1
• InChI: InChI=1S/C29H33N7O2.C27H32N6O.C26H28F3N5O3.C25H26N8O2/c1-20(2)18-34-19-22(16-32-34)29-17-30-27-7-6-23(14-28(27)33-29)35(10-11-36-21(3)8-9-31-36)24-12-25(37-4)15-26(13-24)38-5;1-5-31(2)16-20-10-23(12-24(11-20)34-4)33(17-19-6-7-19)22-8-9-25-26(13-22)30-27(15-28-25)21-14-29-32(3)18-21;1-5-6-9-34(18-11-22(36-3)24(23(12-18)37-4)25(35)26(27,28)29)17-7-8-19-20(10-17)32-21(14-30-19)16-13-31-33(2)15-16;1-17-27-16-32(30-17)7-8-33(20-9-21(34-3)12-22(10-20)35-4)19-5-6-23-24(11-19)29-25(14-26-23)18-13-28-31(2)15-18/h6-9,12-17,19-20H,10-11,18H2,1-5H3;8-15,18-19H,5-7,16-17H2,1-4H3;7-8,10-15,25,35H,5-6,9H2,1-4H3;5-6,9-16H,7-8H2,1-4H3
• InChIKey: BVTUIGWNXZDHEQ-UHFFFAOYSA-N
• XLogP: 19.92
• TPSA: 323.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 36
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1954.30
LogP ≤ 5	19.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

The IUPAC name of 1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine (CID 157477559) is 1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine.

What is the SMILES notation for 1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

The canonical SMILES for 1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine is CCCCN(c1cc(OC)c(C(O)C(F)(F)F)c(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCN(C)Cc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2cnc(C)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2nccc2C)c2ccc3ncc(-c4cnn(CC(C)C)c4)nc3c2)c1.

What is the InChIKey of 1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

The InChIKey is BVTUIGWNXZDHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2.C27H32N6O.C26H28F3N5O3.C25H26N8O2/c1-20(2)18-34-19-22(16-32-34)29-17-30-27-7-6-23(14-28(27)33-29)35(10-11-36-21(3)8-9-31-36)24-12-25(37-4)15-26(13-24)38-5;1-5-31(2)16-20-10-23(12-24(11-20)34-4)33(17-19-6-7-19)22-8-9-25-26(13-22)30-27(15-28-25)21-14-29-32(3)18-21;1-5-6-9-34(18-11-22(36-3)24(23(12-18)37-4)25(35)26(27,28)29)17-7-8-19-20(10-17)32-21(14-30-19)16-13-31-33(2)15-16;1-17-27-16-32(30-17)7-8-33(20-9-21(34-3)12-22(10-20)35-4)19-5-6-23-24(11-19)29-25(14-26-23)18-13-28-31(2)15-18/h6-9,12-17,19-20H,10-11,18H2,1-5H3;8-15,18-19H,5-7,16-17H2,1-4H3;7-8,10-15,25,35H,5-6,9H2,1-4H3;5-6,9-16H,7-8H2,1-4H3.

What are the key properties of 1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine has a molecular weight of 1954.30 g/mol, XLogP of 19.92, 36 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[butyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine is sourced from PubChem (CID 157477559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).