C127H96F16N22O6S2 — CID 158867825
N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(6-fluoro-3-pyridinyl)indazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-3-ylindazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-4-ylindazole-4-carboxamide;1-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 158867825) has the molecular formula C127H96F16N22O6S2 and a molecular weight of 2394.41 g/mol. Its IUPAC name is N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(6-fluoro-3-pyridinyl)indazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-3-ylindazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-4-ylindazole-4-carboxamide;1-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.
| Compound Name | N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(6-fluoro-3-pyridinyl)indazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-3-ylindazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-4-ylindazole-4-carboxamide;1-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide |
|---|---|
| PubChem CID | 158867825 |
| Molecular Formula | C127H96F16N22O6S2 |
| Molecular Weight | 2394.41 g/mol |
| Exact Mass | 2392.71 |
| IUPAC Name | N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(6-fluoro-3-pyridinyl)indazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-3-ylindazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-4-ylindazole-4-carboxamide;1-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide |
| SMILES | CC(F)(F)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)nc2)c1.CC(F)(F)c1cccc(CNC(=O)c2cccc3c2cnn3-c2cccnc2)c1.CC(F)(F)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccncc2)c1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccn1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1cccs1.O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccsc1 |
| InChI | InChI=1S/C22H17F3N4O.2C22H18F2N4O.C21H15F3N4O.2C20H14F3N3OS/c1-22(24,25)15-5-2-4-14(10-15)11-27-21(30)17-6-3-7-19-18(17)13-28-29(19)16-8-9-20(23)26-12-16;1-22(23,24)16-6-2-5-15(11-16)12-26-21(29)18-8-3-9-20-19(18)14-27-28(20)17-7-4-10-25-13-17;1-22(23,24)16-5-2-4-15(12-16)13-26-21(29)18-6-3-7-20-19(18)14-27-28(20)17-8-10-25-11-9-17;22-21(23,24)15-6-3-5-14(11-15)12-26-20(29)16-7-4-8-18-17(16)13-27-28(18)19-9-1-2-10-25-19;21-20(22,23)14-5-1-4-13(10-14)11-24-19(27)15-6-2-7-17-16(15)12-25-26(17)18-8-3-9-28-18;21-20(22,23)14-4-1-3-13(9-14)10-24-19(27)16-5-2-6-18-17(16)11-25-26(18)15-7-8-28-12-15/h2-10,12-13H,11H2,1H3,(H,27,30);2-11,13-14H,12H2,1H3,(H,26,29);2-12,14H,13H2,1H3,(H,26,29);1-11,13H,12H2,(H,26,29);1-10,12H,11H2,(H,24,27);1-9,11-12H,10H2,(H,24,27) |
| InChIKey | JBLUHIIYULLEGD-UHFFFAOYSA-N |
| XLogP | 27.97 |
| TPSA | 333.08 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2394.41 |
| LogP ≤ 5 | 27.97 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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