5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one
C142H115ClFN39O7 — CID 159313904
Data last refreshed: (MolForge compound catalog, from PubChem)
About 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one
5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one (PubChem CID 159313904) has the molecular formula C142H115ClFN39O7 and a molecular weight of 2534.20 g/mol. Its IUPAC name is 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one.
Molecular Properties
| Compound Name | 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one |
|---|---|
| PubChem CID | 159313904 |
| Molecular Formula | C142H115ClFN39O7 |
| Molecular Weight | 2534.20 g/mol |
| Exact Mass | 2531.95 |
| IUPAC Name | 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one |
| SMILES | COc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2cc(-c3ccc(C4CC4)nn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cccnc3)c(Cl)cc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cccnc3)c(F)cc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-n3cc(C4CC4)nn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1 |
| InChI | InChI=1S/C25H21N7O.C24H20N6O2.C24H20N6O.C23H17ClN6O.C23H17FN6O.C23H20N8O/c33-25-19-12-16(21-11-10-20(28-29-21)15-4-5-15)6-7-17(19)13-31(25)23-3-1-2-22(27-23)24-30-26-14-32(24)18-8-9-18;1-32-21-10-16-13-29(24(31)19(16)11-18(21)15-4-3-9-25-12-15)22-6-2-5-20(27-22)23-28-26-14-30(23)17-7-8-17;1-15-10-17-13-29(24(31)20(17)11-19(15)16-4-3-9-25-12-16)22-6-2-5-21(27-22)23-28-26-14-30(23)18-7-8-18;2*24-19-9-15-12-29(23(31)18(15)10-17(19)14-3-2-8-25-11-14)21-5-1-4-20(27-21)22-28-26-13-30(22)16-6-7-16;32-23-18-10-17(31-12-20(26-28-31)14-4-5-14)7-6-15(18)11-29(23)21-3-1-2-19(25-21)22-27-24-13-30(22)16-8-9-16/h1-3,6-7,10-12,14-15,18H,4-5,8-9,13H2;2-6,9-12,14,17H,7-8,13H2,1H3;2-6,9-12,14,18H,7-8,13H2,1H3;2*1-5,8-11,13,16H,6-7,12H2;1-3,6-7,10,12-14,16H,4-5,8-9,11H2 |
| InChIKey | LCWUXCDGRMXRMB-UHFFFAOYSA-N |
| XLogP | 24.16 |
| TPSA | 500.74 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 190 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2534.20 |
| LogP ≤ 5 | 24.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 40 |
Frequently Asked Questions
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 159313904 — 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.