4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide
C121H98F12N26O9S2 — CID 158724518
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide
SMILESCc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3scnc3C)c3ccccc32)cc1.Cc1ccc2c(NC(=O)c3ccoc3C)nn(Cc3ccc(C(F)(F)F)cc3)c2n1.Cc1ccc2c(NC(=O)c3conc3C)nn(Cc3ccc(C(F)(F)F)cc3)c2n1.Cc1ocnc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1sncc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C21H17F3N4O2.C20H16F3N5O2.C20H15F3N4O2.C20H15F3N4OS.C20H17N5O.C20H18N4OS/c1-12-3-8-17-18(26-20(29)16-9-10-30-13(16)2)27-28(19(17)25-12)11-14-4-6-15(7-5-14)21(22,23)24;1-11-3-8-15-17(25-19(29)16-10-30-27-12(16)2)26-28(18(15)24-11)9-13-4-6-14(7-5-13)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;1-12-16(10-24-29-12)19(28)25-18-15-4-2-3-5-17(15)27(26-18)11-13-6-8-14(9-7-13)20(21,22)23;1-14-8-10-15(11-9-14)13-25-18-7-3-2-5-16(18)19(24-25)22-20(26)17-6-4-12-21-23-17;1-13-7-9-15(10-8-13)11-24-17-6-4-3-5-16(17)19(23-24)22-20(25)18-14(2)21-12-26-18/h3-10H,11H2,1-2H3,(H,26,27,29);3-8,10H,9H2,1-2H3,(H,25,26,29);2-9,11H,10H2,1H3,(H,25,26,28);2-10H,11H2,1H3,(H,25,26,28);2-12H,13H2,1H3,(H,22,24,26);3-10,12H,11H2,1-2H3,(H,22,23,25)
InChIKeyIKIDWOBYYMJERM-UHFFFAOYSA-N
MW2352.40 g/mol
LogP26.93
Rot. Bonds24
About 4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide
4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide (PubChem CID 158724518) has the molecular formula C121H98F12N26O9S2 and a molecular weight of 2352.40 g/mol. Its IUPAC name is 4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide.
Molecular Properties
| Compound Name | 4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide |
|---|---|
| PubChem CID | 158724518 |
| Molecular Formula | C121H98F12N26O9S2 |
| Molecular Weight | 2352.40 g/mol |
| Exact Mass | 2350.73 |
| IUPAC Name | 4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide |
| SMILES | Cc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3scnc3C)c3ccccc32)cc1.Cc1ccc2c(NC(=O)c3ccoc3C)nn(Cc3ccc(C(F)(F)F)cc3)c2n1.Cc1ccc2c(NC(=O)c3conc3C)nn(Cc3ccc(C(F)(F)F)cc3)c2n1.Cc1ocnc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1sncc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12 |
| InChI | InChI=1S/C21H17F3N4O2.C20H16F3N5O2.C20H15F3N4O2.C20H15F3N4OS.C20H17N5O.C20H18N4OS/c1-12-3-8-17-18(26-20(29)16-9-10-30-13(16)2)27-28(19(17)25-12)11-14-4-6-15(7-5-14)21(22,23)24;1-11-3-8-15-17(25-19(29)16-10-30-27-12(16)2)26-28(18(15)24-11)9-13-4-6-14(7-5-13)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;1-12-16(10-24-29-12)19(28)25-18-15-4-2-3-5-17(15)27(26-18)11-13-6-8-14(9-7-13)20(21,22)23;1-14-8-10-15(11-9-14)13-25-18-7-3-2-5-16(18)19(24-25)22-20(26)17-6-4-12-21-23-17;1-13-7-9-15(10-8-13)11-24-17-6-4-3-5-16(17)19(23-24)22-20(25)18-14(2)21-12-26-18/h3-10H,11H2,1-2H3,(H,26,27,29);3-8,10H,9H2,1-2H3,(H,25,26,29);2-9,11H,10H2,1H3,(H,25,26,28);2-10H,11H2,1H3,(H,25,26,28);2-12H,13H2,1H3,(H,22,24,26);3-10,12H,11H2,1-2H3,(H,22,23,25) |
| InChIKey | IKIDWOBYYMJERM-UHFFFAOYSA-N |
| XLogP | 26.93 |
| TPSA | 424.06 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 170 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2352.40 |
| LogP ≤ 5 | 26.93 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 31 |
Frequently Asked Questions
What is the IUPAC name of 4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide?
The IUPAC name of 4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide (CID 158724518) is 4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide is Cc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3scnc3C)c3ccccc32)cc1.Cc1ccc2c(NC(=O)c3ccoc3C)nn(Cc3ccc(C(F)(F)F)cc3)c2n1.Cc1ccc2c(NC(=O)c3conc3C)nn(Cc3ccc(C(F)(F)F)cc3)c2n1.Cc1ocnc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1sncc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide?
The InChIKey is IKIDWOBYYMJERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2.C20H16F3N5O2.C20H15F3N4O2.C20H15F3N4OS.C20H17N5O.C20H18N4OS/c1-12-3-8-17-18(26-20(29)16-9-10-30-13(16)2)27-28(19(17)25-12)11-14-4-6-15(7-5-14)21(22,23)24;1-11-3-8-15-17(25-19(29)16-10-30-27-12(16)2)26-28(18(15)24-11)9-13-4-6-14(7-5-13)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;1-12-16(10-24-29-12)19(28)25-18-15-4-2-3-5-17(15)27(26-18)11-13-6-8-14(9-7-13)20(21,22)23;1-14-8-10-15(11-9-14)13-25-18-7-3-2-5-16(18)19(24-25)22-20(26)17-6-4-12-21-23-17;1-13-7-9-15(10-8-13)11-24-17-6-4-3-5-16(17)19(23-24)22-20(25)18-14(2)21-12-26-18/h3-10H,11H2,1-2H3,(H,26,27,29);3-8,10H,9H2,1-2H3,(H,25,26,29);2-9,11H,10H2,1H3,(H,25,26,28);2-10H,11H2,1H3,(H,25,26,28);2-12H,13H2,1H3,(H,22,24,26);3-10,12H,11H2,1-2H3,(H,22,23,25).
What are the key properties of 4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide?
4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide has a molecular weight of 2352.40 g/mol, XLogP of 26.93, 24 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide;3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-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]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 158724518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158724518 — identifiers, structure, computed properties (public domain)
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