N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol

C70H69F5N18O7 — CID 158282441

About N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol

N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol (PubChem CID 158282441) has the molecular formula C70H69F5N18O7 and a molecular weight of 1369.43 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol
• PubChem CID: 158282441
• Molecular Formula: C70H69F5N18O7
• Molecular Weight: 1369.43 g/mol
• Exact Mass: 1368.55
• IUPAC Name: N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol
• SMILES: COc1cc(F)cc(N(C[C@@H](O)CO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(F)cc(N(C[C@H](O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCn2ncnc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C26H28N8O2.C22H19F4N5O2.C22H22FN5O3/c1-18-28-17-30-34(18)9-5-8-33(21-10-22(35-3)13-23(11-21)36-4)20-6-7-24-25(12-20)31-26(15-27-24)19-14-29-32(2)16-19;1-30-11-13(9-28-30)20-10-27-18-4-3-15(8-19(18)29-20)31(12-21(32)22(24,25)26)16-5-14(23)6-17(7-16)33-2;1-27-11-14(9-25-27)22-10-24-20-4-3-16(8-21(20)26-22)28(12-18(30)13-29)17-5-15(23)6-19(7-17)31-2/h6-7,10-17H,5,8-9H2,1-4H3;3-11,21,32H,12H2,1-2H3;3-11,18,29-30H,12-13H2,1-2H3/t;21-;18-/m.01/s1
• InChIKey: GKJIAUBNKOSQTQ-DUNSVQMDSA-N
• XLogP: 11.08
• TPSA: 268.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1369.43
LogP ≤ 5	11.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol?

The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol (CID 158282441) is N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol.

What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol is COc1cc(F)cc(N(C[C@@H](O)CO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(F)cc(N(C[C@H](O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCn2ncnc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol?

The InChIKey is GKJIAUBNKOSQTQ-DUNSVQMDSA-N. The full InChI is InChI=1S/C26H28N8O2.C22H19F4N5O2.C22H22FN5O3/c1-18-28-17-30-34(18)9-5-8-33(21-10-22(35-3)13-23(11-21)36-4)20-6-7-24-25(12-20)31-26(15-27-24)19-14-29-32(2)16-19;1-30-11-13(9-28-30)20-10-27-18-4-3-15(8-19(18)29-20)31(12-21(32)22(24,25)26)16-5-14(23)6-17(7-16)33-2;1-27-11-14(9-25-27)22-10-24-20-4-3-16(8-21(20)26-22)28(12-18(30)13-29)17-5-15(23)6-19(7-17)31-2/h6-7,10-17H,5,8-9H2,1-4H3;3-11,21,32H,12H2,1-2H3;3-11,18,29-30H,12-13H2,1-2H3/t;21-;18-/m.01/s1.

What are the key properties of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol?

N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol has a molecular weight of 1369.43 g/mol, XLogP of 11.08, 22 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]quinoxalin-6-amine;(2R)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propane-1,2-diol;(2S)-1,1,1-trifluoro-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol is sourced from PubChem (CID 158282441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).