C67H80Cl5N19O8S3 — CID 157416682
N-[4-(6-chloro-1H-indazol-4-yl)cyclohexyl]methanesulfonamide;1-[5-(6-chloro-1H-indazol-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone;1-(6-chloro-1H-indazol-4-yl)piperidine-3-carboxamide;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;6-chloro-4-(5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1H-indazole (PubChem CID 157416682) has the molecular formula C67H80Cl5N19O8S3 and a molecular weight of 1552.97 g/mol. Its IUPAC name is N-[4-(6-chloro-1H-indazol-4-yl)cyclohexyl]methanesulfonamide;1-[5-(6-chloro-1H-indazol-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone;1-(6-chloro-1H-indazol-4-yl)piperidine-3-carboxamide;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;6-chloro-4-(5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1H-indazole.
| Compound Name | N-[4-(6-chloro-1H-indazol-4-yl)cyclohexyl]methanesulfonamide;1-[5-(6-chloro-1H-indazol-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone;1-(6-chloro-1H-indazol-4-yl)piperidine-3-carboxamide;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;6-chloro-4-(5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1H-indazole |
|---|---|
| PubChem CID | 157416682 |
| Molecular Formula | C67H80Cl5N19O8S3 |
| Molecular Weight | 1552.97 g/mol |
| Exact Mass | 1549.40 |
| IUPAC Name | N-[4-(6-chloro-1H-indazol-4-yl)cyclohexyl]methanesulfonamide;1-[5-(6-chloro-1H-indazol-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone;1-(6-chloro-1H-indazol-4-yl)piperidine-3-carboxamide;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;6-chloro-4-(5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1H-indazole |
| SMILES | CC(=O)N1CC2CC1CN2c1cc(Cl)cc2[nH]ncc12.CS(=O)(=O)N1CC2CC1CN2c1cc(Cl)cc2[nH]ncc12.CS(=O)(=O)NC1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ncc12.NC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1 |
| InChI | InChI=1S/C14H15ClN4O.C14H18ClN3O2S.C13H15ClN4O2S.C13H17ClN4O2S.C13H15ClN4O/c1-8(20)18-6-11-4-10(18)7-19(11)14-3-9(15)2-13-12(14)5-16-17-13;1-21(19,20)18-11-4-2-9(3-5-11)12-6-10(15)7-14-13(12)8-16-17-14;1-21(19,20)18-7-9-4-10(18)6-17(9)13-3-8(14)2-12-11(13)5-15-16-12;1-9-8-17(21(2,19)20)3-4-18(9)13-6-10(14)5-12-11(13)7-15-16-12;14-9-4-11-10(6-16-17-11)12(5-9)18-3-1-2-8(7-18)13(15)19/h2-3,5,10-11H,4,6-7H2,1H3,(H,16,17);6-9,11,18H,2-5H2,1H3,(H,16,17);2-3,5,9-10H,4,6-7H2,1H3,(H,15,16);5-7,9H,3-4,8H2,1-2H3,(H,15,16);4-6,8H,1-3,7H2,(H2,15,19)(H,16,17)/t;;;9-;/m...0./s1 |
| InChIKey | BOXSVVDHSFKDAD-PCCLTOCMSA-N |
| XLogP | 9.86 |
| TPSA | 340.69 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 102 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1552.97 |
| LogP ≤ 5 | 9.86 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 17 |