3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine

C102H112F3N25O12 — CID 158580043

About 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine

3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine (PubChem CID 158580043) has the molecular formula C102H112F3N25O12 and a molecular weight of 1937.17 g/mol. Its IUPAC name is 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine.

Molecular Properties

• Compound Name: 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine
• PubChem CID: 158580043
• Molecular Formula: C102H112F3N25O12
• Molecular Weight: 1937.17 g/mol
• Exact Mass: 1935.89
• IUPAC Name: 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine
• SMILES: COC[C@@H](O)CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(OC)cc(N(CCCN2CCCCC2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNCC(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2ncnc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C28H32N6O3.C25H27F3N6O3.C25H26N8O2.C24H27N5O4/c1-32-19-20(17-30-32)27-18-29-25-9-8-21(15-26(25)31-27)34(12-6-11-33-10-5-4-7-28(33)35)22-13-23(36-2)16-24(14-22)37-3;1-33-15-16(12-31-33)23-13-30-21-5-4-17(10-22(21)32-23)34(7-6-29-14-24(35)25(26,27)28)18-8-19(36-2)11-20(9-18)37-3;1-17-27-16-29-33(17)8-7-32(20-9-21(34-3)12-22(10-20)35-4)19-5-6-23-24(11-19)30-25(14-26-23)18-13-28-31(2)15-18;1-28-13-16(11-26-28)24-12-25-22-6-5-17(9-23(22)27-24)29(14-19(30)15-31-2)18-7-20(32-3)10-21(8-18)33-4/h8-9,13-19H,4-7,10-12H2,1-3H3;4-5,8-13,15,24,29,35H,6-7,14H2,1-3H3;5-6,9-16H,7-8H2,1-4H3;5-13,19,30H,14-15H2,1-4H3/t;;;19-/m...0/s1
• InChIKey: HTDFPVVFODRLEL-NYBMIIRXSA-N
• XLogP: 15.27
• TPSA: 373.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1937.17
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

The IUPAC name of 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine (CID 158580043) is 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine.

What is the SMILES notation for 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

The canonical SMILES for 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine is COC[C@@H](O)CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(OC)cc(N(CCCN2CCCCC2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNCC(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2ncnc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

The InChIKey is HTDFPVVFODRLEL-NYBMIIRXSA-N. The full InChI is InChI=1S/C28H32N6O3.C25H27F3N6O3.C25H26N8O2.C24H27N5O4/c1-32-19-20(17-30-32)27-18-29-25-9-8-21(15-26(25)31-27)34(12-6-11-33-10-5-4-7-28(33)35)22-13-23(36-2)16-24(14-22)37-3;1-33-15-16(12-31-33)23-13-30-21-5-4-17(10-22(21)32-23)34(7-6-29-14-24(35)25(26,27)28)18-8-19(36-2)11-20(9-18)37-3;1-17-27-16-29-33(17)8-7-32(20-9-21(34-3)12-22(10-20)35-4)19-5-6-23-24(11-19)30-25(14-26-23)18-13-28-31(2)15-18;1-28-13-16(11-26-28)24-12-25-22-6-5-17(9-23(22)27-24)29(14-19(30)15-31-2)18-7-20(32-3)10-21(8-18)33-4/h8-9,13-19H,4-7,10-12H2,1-3H3;4-5,8-13,15,24,29,35H,6-7,14H2,1-3H3;5-6,9-16H,7-8H2,1-4H3;5-13,19,30H,14-15H2,1-4H3/t;;;19-/m...0/s1.

What are the key properties of 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine has a molecular weight of 1937.17 g/mol, XLogP of 15.27, 36 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine is sourced from PubChem (CID 158580043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).