6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

C101H75F5N30O2S4 — CID 161423974

About 6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (PubChem CID 161423974) has the molecular formula C101H75F5N30O2S4 and a molecular weight of 1964.18 g/mol. Its IUPAC name is 6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine.

Molecular Properties

• Compound Name: 6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• PubChem CID: 161423974
• Molecular Formula: C101H75F5N30O2S4
• Molecular Weight: 1964.18 g/mol
• Exact Mass: 1962.55
• IUPAC Name: 6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• SMILES: COc1cnc2c(NCc3nnc4ccc(-c5cncs5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cscn5)nn34)ccnc2c1.C[C@H](c1ccc2ncccc2c1)c1nnc2c(F)cc(-c3cc(F)cc(F)c3)cn12.Cc1cc(-c2cc(F)c3nnc([C@@H](C)c4ccc5ncccc5c4)n3c2)sn1.Cc1cc(-c2cc(F)c3nnc([C@H](C)c4ccc5ncccc5c4)n3c2)sn1
• InChI: InChI=1S/C23H15F3N4.2C21H16FN5S.2C18H14N8OS/c1-13(14-4-5-21-15(7-14)3-2-6-27-21)22-28-29-23-20(26)10-17(12-30(22)23)16-8-18(24)11-19(25)9-16;2*1-12-8-19(28-26-12)16-10-17(22)21-25-24-20(27(21)11-16)13(2)14-5-6-18-15(9-14)4-3-7-23-18;1-27-11-6-14-18(21-7-11)13(4-5-19-14)20-8-17-24-23-16-3-2-12(25-26(16)17)15-9-28-10-22-15;1-27-11-6-14-18(22-7-11)13(4-5-20-14)21-9-17-24-23-16-3-2-12(25-26(16)17)15-8-19-10-28-15/h2-13H,1H3;2*3-11,13H,1-2H3;2-7,9-10H,8H2,1H3,(H,19,20);2-8,10H,9H2,1H3,(H,20,21)/t3*13-;;/m110../s1
• InChIKey: VXCLYPDETZXKCZ-PQIOCJFQSA-N
• XLogP: 21.14
• TPSA: 361.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 19
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1964.18
LogP ≤ 5	21.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The IUPAC name of 6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (CID 161423974) is 6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine.

What is the SMILES notation for 6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The canonical SMILES for 6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine is COc1cnc2c(NCc3nnc4ccc(-c5cncs5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cscn5)nn34)ccnc2c1.C[C@H](c1ccc2ncccc2c1)c1nnc2c(F)cc(-c3cc(F)cc(F)c3)cn12.Cc1cc(-c2cc(F)c3nnc([C@@H](C)c4ccc5ncccc5c4)n3c2)sn1.Cc1cc(-c2cc(F)c3nnc([C@H](C)c4ccc5ncccc5c4)n3c2)sn1.

What is the InChIKey of 6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The InChIKey is VXCLYPDETZXKCZ-PQIOCJFQSA-N. The full InChI is InChI=1S/C23H15F3N4.2C21H16FN5S.2C18H14N8OS/c1-13(14-4-5-21-15(7-14)3-2-6-27-21)22-28-29-23-20(26)10-17(12-30(22)23)16-8-18(24)11-19(25)9-16;2*1-12-8-19(28-26-12)16-10-17(22)21-25-24-20(27(21)11-16)13(2)14-5-6-18-15(9-14)4-3-7-23-18;1-27-11-6-14-18(21-7-11)13(4-5-19-14)20-8-17-24-23-16-3-2-12(25-26(16)17)15-9-28-10-22-15;1-27-11-6-14-18(22-7-11)13(4-5-20-14)21-9-17-24-23-16-3-2-12(25-26(16)17)15-8-19-10-28-15/h2-13H,1H3;2*3-11,13H,1-2H3;2-7,9-10H,8H2,1H3,(H,19,20);2-8,10H,9H2,1H3,(H,20,21)/t3*13-;;/m110../s1.

What are the key properties of 6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine has a molecular weight of 1964.18 g/mol, XLogP of 21.14, 19 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 161423974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).