C102H79F6N31O7 — CID 158039847
6-methoxy-N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 158039847) has the molecular formula C102H79F6N31O7 and a molecular weight of 1964.95 g/mol. Its IUPAC name is 6-methoxy-N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
| Compound Name | 6-methoxy-N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158039847 |
| Molecular Formula | C102H79F6N31O7 |
| Molecular Weight | 1964.95 g/mol |
| Exact Mass | 1963.67 |
| IUPAC Name | 6-methoxy-N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | COc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C)cn2)cn1.Cc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)nc1.Cc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(OC(F)(F)F)nc2)nc1.Cc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2cccnc2)nc1.Cc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2cncnc2)nc1 |
| InChI | InChI=1S/C21H15F3N6O2.C21H15F3N6O.C21H18N6O2.C20H16N6O.C19H15N7O/c1-13-9-17(14-3-2-8-25-10-14)29-30(13)16-5-6-18(26-12-16)28-20(31)15-4-7-19(27-11-15)32-21(22,23)24;1-13-9-17(14-3-2-8-25-10-14)29-30(13)16-5-7-19(27-12-16)28-20(31)15-4-6-18(26-11-15)21(22,23)24;1-14-10-18(15-4-3-9-22-11-15)26-27(14)17-6-7-19(23-13-17)25-21(28)16-5-8-20(29-2)24-12-16;1-14-10-18(15-4-2-8-21-11-15)25-26(14)17-6-7-19(23-13-17)24-20(27)16-5-3-9-22-12-16;1-13-7-17(14-3-2-6-20-8-14)25-26(13)16-4-5-18(23-11-16)24-19(27)15-9-21-12-22-10-15/h2-12H,1H3,(H,26,28,31);2-12H,1H3,(H,27,28,31);3-13H,1-2H3,(H,23,25,28);2-13H,1H3,(H,23,24,27);2-12H,1H3,(H,23,24,27) |
| InChIKey | FIFGWIKIIVGGIF-UHFFFAOYSA-N |
| XLogP | 17.75 |
| TPSA | 459.30 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 146 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1964.95 |
| LogP ≤ 5 | 17.75 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 33 |