C109H83F8N23O6 — CID 161330969
N-[3-[(dimethylamino)methyl]phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-(3-fluorophenyl)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 161330969) has the molecular formula C109H83F8N23O6 and a molecular weight of 1963.00 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-(3-fluorophenyl)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide.
| Compound Name | N-[3-[(dimethylamino)methyl]phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-(3-fluorophenyl)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 161330969 |
| Molecular Formula | C109H83F8N23O6 |
| Molecular Weight | 1963.00 g/mol |
| Exact Mass | 1961.68 |
| IUPAC Name | N-[3-[(dimethylamino)methyl]phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-(3-fluorophenyl)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide |
| SMILES | CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)c1.CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)c1.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cccnc3)cc12.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(F)c3)cc12.O=C(Nc1cccc(-c2cccc(F)c2)c1)c1n[nH]c2ccc(-c3cccnc3)cc12 |
| InChI | InChI=1S/C25H17FN4O.C22H20N6O2.C22H21N5O.C20H12F4N4O.C20H13F3N4O/c26-20-7-1-4-16(12-20)17-5-2-8-21(13-17)28-25(31)24-22-14-18(9-10-23(22)29-30-24)19-6-3-11-27-15-19;1-28(2)22(30)25-17-10-15(12-23-13-17)14-8-9-19-18(11-14)20(27-26-19)21(29)24-16-6-4-3-5-7-16;1-27(2)14-15-5-3-7-18(11-15)24-22(28)21-19-12-16(8-9-20(19)25-26-21)17-6-4-10-23-13-17;21-14-7-12(9-25-10-14)11-1-6-17-16(8-11)18(28-27-17)19(29)26-15-4-2-13(3-5-15)20(22,23)24;21-20(22,23)14-4-6-15(7-5-14)25-19(28)18-16-10-12(3-8-17(16)26-27-18)13-2-1-9-24-11-13/h1-15H,(H,28,31)(H,29,30);3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27);3-13H,14H2,1-2H3,(H,24,28)(H,25,26);1-10H,(H,26,29)(H,27,28);1-11H,(H,25,28)(H,26,27) |
| InChIKey | VLKHKQLVFIZURJ-UHFFFAOYSA-N |
| XLogP | 23.52 |
| TPSA | 388.93 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1963.00 |
| LogP ≤ 5 | 23.52 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 17 |