3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
C118H86F18N24O10S2 — CID 160582455
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ncoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ocnc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1scnc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnon1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cscn1
InChIInChI=1S/C21H16F3N3O2.2C20H15F3N4O2.C20H15F3N4OS.C19H13F3N4OS.C18H12F3N5O2/c1-13-10-11-29-18(13)20(28)25-19-16-4-2-3-5-17(16)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;1-12-17(24-11-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;1-12-17(29-11-24-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;1-12-17(24-11-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;20-19(21,22)13-7-5-12(6-8-13)9-26-16-4-2-1-3-14(16)17(25-26)24-18(27)15-10-28-11-23-15;19-18(20,21)12-7-5-11(6-8-12)10-26-15-4-2-1-3-13(15)16(24-26)23-17(27)14-9-22-28-25-14/h2-11H,12H2,1H3,(H,25,26,28);3*2-9,11H,10H2,1H3,(H,25,26,28);1-8,10-11H,9H2,(H,24,25,27);1-9H,10H2,(H,23,24,27)
InChIKeyRBYPEYVKCZWXOI-UHFFFAOYSA-N
MW2406.24 g/mol
LogP28.23
Rot. Bonds24
About 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 160582455) has the molecular formula C118H86F18N24O10S2 and a molecular weight of 2406.24 g/mol. Its IUPAC name is 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide.
Molecular Properties
| Compound Name | 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide |
|---|---|
| PubChem CID | 160582455 |
| Molecular Formula | C118H86F18N24O10S2 |
| Molecular Weight | 2406.24 g/mol |
| Exact Mass | 2404.61 |
| IUPAC Name | 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide |
| SMILES | Cc1ccoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ncoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ocnc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1scnc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnon1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cscn1 |
| InChI | InChI=1S/C21H16F3N3O2.2C20H15F3N4O2.C20H15F3N4OS.C19H13F3N4OS.C18H12F3N5O2/c1-13-10-11-29-18(13)20(28)25-19-16-4-2-3-5-17(16)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;1-12-17(24-11-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;1-12-17(29-11-24-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;1-12-17(24-11-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;20-19(21,22)13-7-5-12(6-8-13)9-26-16-4-2-1-3-14(16)17(25-26)24-18(27)15-10-28-11-23-15;19-18(20,21)12-7-5-11(6-8-12)10-26-15-4-2-1-3-13(15)16(24-26)23-17(27)14-9-22-28-25-14/h2-11H,12H2,1H3,(H,25,26,28);3*2-9,11H,10H2,1H3,(H,25,26,28);1-8,10-11H,9H2,(H,24,25,27);1-9H,10H2,(H,23,24,27) |
| InChIKey | RBYPEYVKCZWXOI-UHFFFAOYSA-N |
| XLogP | 28.23 |
| TPSA | 411.42 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 172 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2406.24 |
| LogP ≤ 5 | 28.23 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |
Frequently Asked Questions
What is the IUPAC name of 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide (CID 160582455) is 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide is Cc1ccoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ncoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ocnc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1scnc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnon1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cscn1.
What is the InChIKey of 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is RBYPEYVKCZWXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2.2C20H15F3N4O2.C20H15F3N4OS.C19H13F3N4OS.C18H12F3N5O2/c1-13-10-11-29-18(13)20(28)25-19-16-4-2-3-5-17(16)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;1-12-17(24-11-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;1-12-17(29-11-24-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;1-12-17(24-11-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;20-19(21,22)13-7-5-12(6-8-13)9-26-16-4-2-1-3-14(16)17(25-26)24-18(27)15-10-28-11-23-15;19-18(20,21)12-7-5-11(6-8-12)10-26-15-4-2-1-3-13(15)16(24-26)23-17(27)14-9-22-28-25-14/h2-11H,12H2,1H3,(H,25,26,28);3*2-9,11H,10H2,1H3,(H,25,26,28);1-8,10-11H,9H2,(H,24,25,27);1-9H,10H2,(H,23,24,27).
What are the key properties of 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 2406.24 g/mol, XLogP of 28.23, 24 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 160582455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 160582455 — identifiers, structure, computed properties (public domain)
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