C88H104Cl6F3N13O7S — CID 158792390
(5-chloro-1H-indazol-7-yl)-(1-cyclopropylcyclopropyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclopropyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(1,1-difluoroethyl)-3-(2-fluoropropan-2-yl)cyclobutan-1-ol;(5-chloro-1H-indazol-7-yl)-(1-ethylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]methanol (PubChem CID 158792390) has the molecular formula C88H104Cl6F3N13O7S and a molecular weight of 1757.66 g/mol. Its IUPAC name is (5-chloro-1H-indazol-7-yl)-(1-cyclopropylcyclopropyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclopropyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(1,1-difluoroethyl)-3-(2-fluoropropan-2-yl)cyclobutan-1-ol;(5-chloro-1H-indazol-7-yl)-(1-ethylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]methanol.
| Compound Name | (5-chloro-1H-indazol-7-yl)-(1-cyclopropylcyclopropyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclopropyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(1,1-difluoroethyl)-3-(2-fluoropropan-2-yl)cyclobutan-1-ol;(5-chloro-1H-indazol-7-yl)-(1-ethylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]methanol |
|---|---|
| PubChem CID | 158792390 |
| Molecular Formula | C88H104Cl6F3N13O7S |
| Molecular Weight | 1757.66 g/mol |
| Exact Mass | 1753.60 |
| IUPAC Name | (5-chloro-1H-indazol-7-yl)-(1-cyclopropylcyclopropyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclopropyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(1,1-difluoroethyl)-3-(2-fluoropropan-2-yl)cyclobutan-1-ol;(5-chloro-1H-indazol-7-yl)-(1-ethylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]methanol |
| SMILES | C=S(C)(=O)N1CC(C(O)c2cc(Cl)cc3cn[nH]c23)C1.CC(C)(C1CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(F)C1(C(C)(F)F)CC(O)(c2cc(Cl)cc3cn[nH]c23)C1.CC12CCC(C(O)c3cc(Cl)cc4cn[nH]c34)(CC1)CC2.CCC1(C(O)c2cc(Cl)cc3cn[nH]c23)CCC1.OC(c1cc(Cl)cc2cn[nH]c12)C1(C2CC2)CC1 |
| InChI | InChI=1S/C17H21ClN2O.C16H18ClF3N2O.C14H15ClN2O.2C14H17ClN2O.C13H16ClN3O2S/c1-16-2-5-17(6-3-16,7-4-16)15(21)13-9-12(18)8-11-10-19-20-14(11)13;1-13(2,18)16(14(3,19)20)7-15(23,8-16)11-5-10(17)4-9-6-21-22-12(9)11;15-10-5-8-7-16-17-12(8)11(6-10)13(18)14(3-4-14)9-1-2-9;1-14(2,9-3-4-9)13(18)11-6-10(15)5-8-7-16-17-12(8)11;1-2-14(4-3-5-14)13(18)11-7-10(15)6-9-8-16-17-12(9)11;1-20(2,19)17-6-9(7-17)13(18)11-4-10(14)3-8-5-15-16-12(8)11/h8-10,15,21H,2-7H2,1H3,(H,19,20);4-6,23H,7-8H2,1-3H3,(H,21,22);5-7,9,13,18H,1-4H2,(H,16,17);5-7,9,13,18H,3-4H2,1-2H3,(H,16,17);6-8,13,18H,2-5H2,1H3,(H,16,17);3-5,9,13,18H,1,6-7H2,2H3,(H,15,16) |
| InChIKey | ISLAXYMYLVZBLO-UHFFFAOYSA-N |
| XLogP | 21.60 |
| TPSA | 313.77 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 118 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1757.66 |
| LogP ≤ 5 | 21.60 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
|---|