C95H62F15N27O7 — CID 159007929
3-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-5-carbonitrile;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 159007929) has the molecular formula C95H62F15N27O7 and a molecular weight of 1978.69 g/mol. Its IUPAC name is 3-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-5-carbonitrile;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.
| Compound Name | 3-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-5-carbonitrile;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide |
|---|---|
| PubChem CID | 159007929 |
| Molecular Formula | C95H62F15N27O7 |
| Molecular Weight | 1978.69 g/mol |
| Exact Mass | 1977.51 |
| IUPAC Name | 3-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole-5-carbonitrile;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide |
| SMILES | Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.N#Cc1ccc2c(c1)c(N)nn2Cc1ccc(C(F)(F)F)nc1.N#Cc1ccc2c(c1)c(NC(=O)c1ccoc1)nn2Cc1ccc(C(F)(F)F)nc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1cccnn1 |
| InChI | InChI=1S/C21H14F3N5O2.C20H13F3N6O2.C20H12F3N5O2.C19H13F3N6O.C15H10F3N5/c1-12-15(6-7-31-12)20(30)27-19-16-8-13(9-25)2-4-17(16)29(28-19)11-14-3-5-18(26-10-14)21(22,23)24;1-11-15(10-31-28-11)19(30)26-18-14-6-12(7-24)2-4-16(14)29(27-18)9-13-3-5-17(25-8-13)20(21,22)23;21-20(22,23)17-4-2-13(9-25-17)10-28-16-3-1-12(8-24)7-15(16)18(27-28)26-19(29)14-5-6-30-11-14;20-19(21,22)16-8-7-12(10-23-16)11-28-15-6-2-1-4-13(15)17(27-28)25-18(29)14-5-3-9-24-26-14;16-15(17,18)13-4-2-10(7-21-13)8-23-12-3-1-9(6-19)5-11(12)14(20)22-23/h2-8,10H,11H2,1H3,(H,27,28,30);2-6,8,10H,9H2,1H3,(H,26,27,30);1-7,9,11H,10H2,(H,26,27,29);1-10H,11H2,(H,25,27,29);1-5,7H,8H2,(H2,20,22) |
| InChIKey | JSDOILAMZUKZRD-UHFFFAOYSA-N |
| XLogP | 19.15 |
| TPSA | 469.22 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 144 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1978.69 |
| LogP ≤ 5 | 19.15 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 30 |