C173H193Cl5FN9O15 — CID 163598561
4-[3-chloro-5-[(4-cyclobutyl-3-methylphenyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[(4-cyclohexyl-3-methylphenyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[[4-(cyclopenten-1-yl)-3-methylphenyl]methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[(6-cyclopentyl-5-methyl-3-pyridinyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[(4-cyclopentyloxy-3-methylphenyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[5-[(4-cyclopentyl-3-methylphenyl)methoxy]-7-fluoro-1H-indol-2-yl]butan-2-one;4-[5-[(4-cyclopentyl-3-methylphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]butan-2-one (PubChem CID 163598561) has the molecular formula C173H193Cl5FN9O15 and a molecular weight of 2834.76 g/mol. Its IUPAC name is 4-[3-chloro-5-[(4-cyclobutyl-3-methylphenyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[(4-cyclohexyl-3-methylphenyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[[4-(cyclopenten-1-yl)-3-methylphenyl]methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[(6-cyclopentyl-5-methyl-3-pyridinyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[(4-cyclopentyloxy-3-methylphenyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[5-[(4-cyclopentyl-3-methylphenyl)methoxy]-7-fluoro-1H-indol-2-yl]butan-2-one;4-[5-[(4-cyclopentyl-3-methylphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]butan-2-one.
| Compound Name | 4-[3-chloro-5-[(4-cyclobutyl-3-methylphenyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[(4-cyclohexyl-3-methylphenyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[[4-(cyclopenten-1-yl)-3-methylphenyl]methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[(6-cyclopentyl-5-methyl-3-pyridinyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[(4-cyclopentyloxy-3-methylphenyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[5-[(4-cyclopentyl-3-methylphenyl)methoxy]-7-fluoro-1H-indol-2-yl]butan-2-one;4-[5-[(4-cyclopentyl-3-methylphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]butan-2-one |
|---|---|
| PubChem CID | 163598561 |
| Molecular Formula | C173H193Cl5FN9O15 |
| Molecular Weight | 2834.76 g/mol |
| Exact Mass | 2830.30 |
| IUPAC Name | 4-[3-chloro-5-[(4-cyclobutyl-3-methylphenyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[(4-cyclohexyl-3-methylphenyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[[4-(cyclopenten-1-yl)-3-methylphenyl]methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[(6-cyclopentyl-5-methyl-3-pyridinyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[3-chloro-5-[(4-cyclopentyloxy-3-methylphenyl)methoxy]-1H-indol-2-yl]butan-2-one;4-[5-[(4-cyclopentyl-3-methylphenyl)methoxy]-7-fluoro-1H-indol-2-yl]butan-2-one;4-[5-[(4-cyclopentyl-3-methylphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]butan-2-one |
| SMILES | CC(=O)CCc1[nH]c2ccc(OCc3ccc(C4=CCCC4)c(C)c3)cc2c1Cl.CC(=O)CCc1[nH]c2ccc(OCc3ccc(C4CCC4)c(C)c3)cc2c1Cl.CC(=O)CCc1[nH]c2ccc(OCc3ccc(C4CCCCC4)c(C)c3)cc2c1Cl.CC(=O)CCc1[nH]c2ccc(OCc3ccc(OC4CCCC4)c(C)c3)cc2c1Cl.CC(=O)CCc1[nH]c2ccc(OCc3cnc(C4CCCC4)c(C)c3)cc2c1Cl.CC(=O)CCc1cc2cc(OCc3ccc(C4CCCC4)c(C)c3)cc(F)c2[nH]1.CC(=O)CCc1cc2cc(OCc3ccc(C4CCCC4)c(C)c3)cnc2[nH]1 |
| InChI | InChI=1S/C26H30ClNO2.C25H28ClNO3.C25H26ClNO2.C25H28FNO2.C24H27ClN2O2.C24H26ClNO2.C24H28N2O2/c1-17-14-19(9-11-22(17)20-6-4-3-5-7-20)16-30-21-10-13-24-23(15-21)26(27)25(28-24)12-8-18(2)29;1-16-13-18(8-12-24(16)30-19-5-3-4-6-19)15-29-20-9-11-22-21(14-20)25(26)23(27-22)10-7-17(2)28;1-16-13-18(8-10-21(16)19-5-3-4-6-19)15-29-20-9-12-23-22(14-20)25(26)24(27-23)11-7-17(2)28;1-16-11-18(8-10-23(16)19-5-3-4-6-19)15-29-22-13-20-12-21(9-7-17(2)28)27-25(20)24(26)14-22;1-15-11-17(13-26-24(15)18-5-3-4-6-18)14-29-19-8-10-21-20(12-19)23(25)22(27-21)9-7-16(2)28;1-15-12-17(7-9-20(15)18-4-3-5-18)14-28-19-8-11-22-21(13-19)24(25)23(26-22)10-6-16(2)27;1-16-11-18(8-10-23(16)19-5-3-4-6-19)15-28-22-13-20-12-21(9-7-17(2)27)26-24(20)25-14-22/h9-11,13-15,20,28H,3-8,12,16H2,1-2H3;8-9,11-14,19,27H,3-7,10,15H2,1-2H3;5,8-10,12-14,27H,3-4,6-7,11,15H2,1-2H3;8,10-14,19,27H,3-7,9,15H2,1-2H3;8,10-13,18,27H,3-7,9,14H2,1-2H3;7-9,11-13,18,26H,3-6,10,14H2,1-2H3;8,10-14,19H,3-7,9,15H2,1-2H3,(H,25,26) |
| InChIKey | GVPNJWMSPBXEFI-UHFFFAOYSA-N |
| XLogP | 45.41 |
| TPSA | 329.64 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 203 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2834.76 |
| LogP ≤ 5 | 45.41 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 17 |