C70H82Cl5FN18O7S — CID 159393900
1-(6-chloro-1H-indazol-4-yl)piperidine-3-carboxamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole (PubChem CID 159393900) has the molecular formula C70H82Cl5FN18O7S and a molecular weight of 1515.87 g/mol. Its IUPAC name is 1-(6-chloro-1H-indazol-4-yl)piperidine-3-carboxamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole.
| Compound Name | 1-(6-chloro-1H-indazol-4-yl)piperidine-3-carboxamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole |
|---|---|
| PubChem CID | 159393900 |
| Molecular Formula | C70H82Cl5FN18O7S |
| Molecular Weight | 1515.87 g/mol |
| Exact Mass | 1512.48 |
| IUPAC Name | 1-(6-chloro-1H-indazol-4-yl)piperidine-3-carboxamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole |
| SMILES | CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)C1.C[C@@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ncc12.NC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.O=C(CCF)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1)C1(O)CC1 |
| InChI | InChI=1S/C16H18ClN3O2.C15H17ClFN3O.C13H17ClN4O2S.2C13H15ClN4O/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;16-11-7-12(13-9-18-19-14(13)8-11)10-2-5-20(6-3-10)15(21)1-4-17;1-9-8-17(21(2,19)20)3-4-18(9)13-6-10(14)5-12-11(13)7-15-16-12;1-8(19)16-10-2-3-18(7-10)13-5-9(14)4-12-11(13)6-15-17-12;14-9-4-11-10(6-16-17-11)12(5-9)18-3-1-2-8(7-18)13(15)19/h7-10,22H,1-6H2,(H,18,19);7-10H,1-6H2,(H,18,19);5-7,9H,3-4,8H2,1-2H3,(H,15,16);4-6,10H,2-3,7H2,1H3,(H,15,17)(H,16,19);4-6,8H,1-3,7H2,(H2,15,19)(H,16,17)/t;;9-;;/m..1../s1 |
| InChIKey | LMLVIBYPLOHJOQ-JQYVCPOISA-N |
| XLogP | 11.26 |
| TPSA | 323.54 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 102 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1515.87 |
| LogP ≤ 5 | 11.26 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 15 |