C58H74Cl2F3N17O7S2 — CID 159480763
1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole (PubChem CID 159480763) has the molecular formula C58H74Cl2F3N17O7S2 and a molecular weight of 1313.38 g/mol. Its IUPAC name is 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole.
| Compound Name | 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole |
|---|---|
| PubChem CID | 159480763 |
| Molecular Formula | C58H74Cl2F3N17O7S2 |
| Molecular Weight | 1313.38 g/mol |
| Exact Mass | 1311.47 |
| IUPAC Name | 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole |
| SMILES | CC(=O)N(C)c1cc(N2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1.CN(C)C(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.CNC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(C(F)(F)F)cc2[nH]ncc12 |
| InChI | InChI=1S/C15H19ClN4O.C15H21N5O3S.C14H17ClN4O.C14H17F3N4O2S/c1-19(2)15(21)10-4-3-5-20(9-10)14-7-11(16)6-13-12(14)8-17-18-13;1-11(21)18(2)12-8-14-13(10-16-17-14)15(9-12)19-4-6-20(7-5-19)24(3,22)23;1-16-14(20)9-3-2-4-19(8-9)13-6-10(15)5-12-11(13)7-17-18-12;1-9-8-20(24(2,22)23)3-4-21(9)13-6-10(14(15,16)17)5-12-11(13)7-18-19-12/h6-8,10H,3-5,9H2,1-2H3,(H,17,18);8-10H,4-7H2,1-3H3,(H,16,17);5-7,9H,2-4,8H2,1H3,(H,16,20)(H,17,18);5-7,9H,3-4,8H2,1-2H3,(H,18,19)/t;;;9-/m...0/s1 |
| InChIKey | LWYYSLRVRYZNQV-RWYKCJGHSA-N |
| XLogP | 7.38 |
| TPSA | 272.16 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 89 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1313.38 |
| LogP ≤ 5 | 7.38 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 15 |