5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
C118H119F3N20O13S4 — CID 159364887
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1c(F)cccc1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2)c2nncn12.COc1c(F)cccc1CCc1ccc(-c2ccncc2)c2nncn12.COc1cc(C)ccc1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2)c2nncn12.COc1ccc(C)cc1CCc1ccc(-c2ccc(S(=O)(=O)C3CCN(C)CC3)cc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(=O)(=O)C3CCN(C)CC3)cc2)c2nncn12
InChIInChI=1S/C28H32N4O3S.C27H29FN4O3S.C22H22N4O3S.C21H19FN4O3S.C20H17FN4O/c1-20-4-13-27(35-3)22(18-20)5-8-23-9-12-26(28-30-29-19-32(23)28)21-6-10-24(11-7-21)36(33,34)25-14-16-31(2)17-15-25;1-31-16-14-22(15-17-31)36(33,34)21-10-6-19(7-11-21)23-12-8-20(32-18-29-30-27(23)32)9-13-24-25(28)4-3-5-26(24)35-2;1-15-4-5-16(20(12-15)29-2)6-8-18-9-10-19(22-25-24-14-26(18)22)17-7-11-21(23-13-17)30(3,27)28;1-29-20-14(4-3-5-18(20)22)6-8-16-9-10-17(21-25-24-13-26(16)21)15-7-11-19(23-12-15)30(2,27)28;1-26-19-15(3-2-4-18(19)21)5-6-16-7-8-17(14-9-11-22-12-10-14)20-24-23-13-25(16)20/h4,6-7,9-13,18-19,25H,5,8,14-17H2,1-3H3;3-8,10-12,18,22H,9,13-17H2,1-2H3;4-5,7,9-14H,6,8H2,1-3H3;3-5,7,9-13H,6,8H2,1-2H3;2-4,7-13H,5-6H2,1H3
InChIKeyLIZRRDGRGXWPCO-UHFFFAOYSA-N
MW2210.64 g/mol
LogP18.71
Rot. Bonds31
About 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 159364887) has the molecular formula C118H119F3N20O13S4 and a molecular weight of 2210.64 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.
Molecular Properties
| Compound Name | 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine |
|---|---|
| PubChem CID | 159364887 |
| Molecular Formula | C118H119F3N20O13S4 |
| Molecular Weight | 2210.64 g/mol |
| Exact Mass | 2208.81 |
| IUPAC Name | 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine |
| SMILES | COc1c(F)cccc1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2)c2nncn12.COc1c(F)cccc1CCc1ccc(-c2ccncc2)c2nncn12.COc1cc(C)ccc1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2)c2nncn12.COc1ccc(C)cc1CCc1ccc(-c2ccc(S(=O)(=O)C3CCN(C)CC3)cc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(=O)(=O)C3CCN(C)CC3)cc2)c2nncn12 |
| InChI | InChI=1S/C28H32N4O3S.C27H29FN4O3S.C22H22N4O3S.C21H19FN4O3S.C20H17FN4O/c1-20-4-13-27(35-3)22(18-20)5-8-23-9-12-26(28-30-29-19-32(23)28)21-6-10-24(11-7-21)36(33,34)25-14-16-31(2)17-15-25;1-31-16-14-22(15-17-31)36(33,34)21-10-6-19(7-11-21)23-12-8-20(32-18-29-30-27(23)32)9-13-24-25(28)4-3-5-26(24)35-2;1-15-4-5-16(20(12-15)29-2)6-8-18-9-10-19(22-25-24-14-26(18)22)17-7-11-21(23-13-17)30(3,27)28;1-29-20-14(4-3-5-18(20)22)6-8-16-9-10-17(21-25-24-13-26(16)21)15-7-11-19(23-12-15)30(2,27)28;1-26-19-15(3-2-4-18(19)21)5-6-16-7-8-17(14-9-11-22-12-10-14)20-24-23-13-25(16)20/h4,6-7,9-13,18-19,25H,5,8,14-17H2,1-3H3;3-8,10-12,18,22H,9,13-17H2,1-2H3;4-5,7,9-14H,6,8H2,1-3H3;3-5,7,9-13H,6,8H2,1-2H3;2-4,7-13H,5-6H2,1H3 |
| InChIKey | LIZRRDGRGXWPCO-UHFFFAOYSA-N |
| XLogP | 18.71 |
| TPSA | 378.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 158 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2210.64 |
| LogP ≤ 5 | 18.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 33 |
Frequently Asked Questions
What is the IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 159364887) is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1c(F)cccc1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2)c2nncn12.COc1c(F)cccc1CCc1ccc(-c2ccncc2)c2nncn12.COc1cc(C)ccc1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2)c2nncn12.COc1ccc(C)cc1CCc1ccc(-c2ccc(S(=O)(=O)C3CCN(C)CC3)cc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(=O)(=O)C3CCN(C)CC3)cc2)c2nncn12.
What is the InChIKey of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LIZRRDGRGXWPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3S.C27H29FN4O3S.C22H22N4O3S.C21H19FN4O3S.C20H17FN4O/c1-20-4-13-27(35-3)22(18-20)5-8-23-9-12-26(28-30-29-19-32(23)28)21-6-10-24(11-7-21)36(33,34)25-14-16-31(2)17-15-25;1-31-16-14-22(15-17-31)36(33,34)21-10-6-19(7-11-21)23-12-8-20(32-18-29-30-27(23)32)9-13-24-25(28)4-3-5-26(24)35-2;1-15-4-5-16(20(12-15)29-2)6-8-18-9-10-19(22-25-24-14-26(18)22)17-7-11-21(23-13-17)30(3,27)28;1-29-20-14(4-3-5-18(20)22)6-8-16-9-10-17(21-25-24-13-26(16)21)15-7-11-19(23-12-15)30(2,27)28;1-26-19-15(3-2-4-18(19)21)5-6-16-7-8-17(14-9-11-22-12-10-14)20-24-23-13-25(16)20/h4,6-7,9-13,18-19,25H,5,8,14-17H2,1-3H3;3-8,10-12,18,22H,9,13-17H2,1-2H3;4-5,7,9-14H,6,8H2,1-3H3;3-5,7,9-13H,6,8H2,1-2H3;2-4,7-13H,5-6H2,1H3.
What are the key properties of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 2210.64 g/mol, XLogP of 18.71, 31 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 159364887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 159364887 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.