C114H108F4N10O6S — CID 165079658
4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 165079658) has the molecular formula C114H108F4N10O6S and a molecular weight of 1822.24 g/mol. Its IUPAC name is 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.
| Compound Name | 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid |
|---|---|
| PubChem CID | 165079658 |
| Molecular Formula | C114H108F4N10O6S |
| Molecular Weight | 1822.24 g/mol |
| Exact Mass | 1820.81 |
| IUPAC Name | 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid |
| SMILES | CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(OC2COC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cc(OC2CCC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cc(OC2CCCC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1ccnc2c1C=C(c1nccs1)C2 |
| InChI | InChI=1S/C30H31FN2O.C29H29FN2O.C28H25FN2O4.C27H23FN4S/c1-17(2)28-29(18(3)33-30(28)26-14-20(31)15-27-24(26)11-12-32-27)25-16-22(34-21-8-4-5-9-21)13-19-7-6-10-23(19)25;1-16(2)27-28(17(3)32-29(27)25-13-19(30)14-26-23(25)10-11-31-26)24-15-21(33-20-7-5-8-20)12-18-6-4-9-22(18)24;1-14(2)24-25(21-11-17(35-18-12-34-13-18)8-15-4-3-5-19(15)21)27(28(32)33)31-26(24)22-9-16(29)10-23-20(22)6-7-30-23;1-14(2)24-25(15(3)32-26(24)21-12-17(28)13-23-18(21)4-6-30-23)19-5-7-29-22-11-16(10-20(19)22)27-31-8-9-33-27/h6,10-17,21,32-33H,4-5,7-9H2,1-3H3;4,9-16,20,31-32H,5-8H2,1-3H3;3,5-11,14,18,30-31H,4,12-13H2,1-2H3,(H,32,33);4-10,12-14,30,32H,11H2,1-3H3 |
| InChIKey | UXGQCSJNISMYCF-UHFFFAOYSA-N |
| XLogP | 29.68 |
| TPSA | 226.32 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 135 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1822.24 |
| LogP ≤ 5 | 29.68 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 8 |