C70H82Cl4FN19O8S2 — CID 158260488
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile (PubChem CID 158260488) has the molecular formula C70H82Cl4FN19O8S2 and a molecular weight of 1542.49 g/mol. Its IUPAC name is 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile.
| Compound Name | 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile |
|---|---|
| PubChem CID | 158260488 |
| Molecular Formula | C70H82Cl4FN19O8S2 |
| Molecular Weight | 1542.49 g/mol |
| Exact Mass | 1539.48 |
| IUPAC Name | 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile |
| SMILES | CC(=O)CC1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CS(=O)(=O)N1CCN(c2cc(C#N)cc3[nH]ncc23)CC1.C[C@@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ncc12.O=C(CCF)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1)C1(O)CC1 |
| InChI | InChI=1S/C16H18ClN3O2.C14H16ClFN4O.C14H16ClN3O.C13H17ClN4O2S.C13H15N5O2S/c17-11-7-12(13-9-18-19-14(13)8-11)10-1-5-20(6-2-10)15(21)16(22)3-4-16;15-10-7-12-11(9-17-18-12)13(8-10)19-3-5-20(6-4-19)14(21)1-2-16;1-9(19)4-10-2-3-18(8-10)14-6-11(15)5-13-12(14)7-16-17-13;1-9-8-17(21(2,19)20)3-4-18(9)13-6-10(14)5-12-11(13)7-15-16-12;1-21(19,20)18-4-2-17(3-5-18)13-7-10(8-14)6-12-11(13)9-15-16-12/h7-10,22H,1-6H2,(H,18,19);7-9H,1-6H2,(H,17,18);5-7,10H,2-4,8H2,1H3,(H,16,17);5-7,9H,3-4,8H2,1-2H3,(H,15,16);6-7,9H,2-5H2,1H3,(H,15,16)/t;;;9-;/m...1./s1 |
| InChIKey | GHUVFNDYAJWCIX-IBWHDOKRSA-N |
| XLogP | 9.90 |
| TPSA | 332.83 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 104 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1542.49 |
| LogP ≤ 5 | 9.90 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 18 |