C107H112BrCl2F2N11O17 — CID 162196949
2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone (PubChem CID 162196949) has the molecular formula C107H112BrCl2F2N11O17 and a molecular weight of 2012.94 g/mol. Its IUPAC name is 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone.
| Compound Name | 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone |
|---|---|
| PubChem CID | 162196949 |
| Molecular Formula | C107H112BrCl2F2N11O17 |
| Molecular Weight | 2012.94 g/mol |
| Exact Mass | 2009.68 |
| IUPAC Name | 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone |
| SMILES | CC(=O)c1cn(CC(=O)O)c2ccc(N3CCCC3=O)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(N3CCCC3=O)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccc(N3CCCC3=O)cc12.O=C(CNC1CC1)Cc1cccc(-c2ccccc2Cl)c1F.O=C1CCCC1 |
| InChI | InChI=1S/C32H29ClFN5O4.C20H24N2O4.C18H17ClFNO.C16H18BrNO3.C16H16N2O4.C5H8O/c1-19(40)32-24-16-21(37-15-5-10-29(37)42)13-14-27(24)39(36-32)18-30(43)38(20-11-12-20)17-28(41)35-26-9-4-7-23(31(26)34)22-6-2-3-8-25(22)33;1-13(23)16-11-21(12-19(25)26-20(2,3)4)17-8-7-14(10-15(16)17)22-9-5-6-18(22)24;19-17-7-2-1-5-15(17)16-6-3-4-12(18(16)20)10-14(22)11-21-13-8-9-13;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-10(19)13-8-17(9-16(21)22)14-5-4-11(7-12(13)14)18-6-2-3-15(18)20;6-5-3-1-2-4-5/h2-4,6-9,13-14,16,20H,5,10-12,15,17-18H2,1H3,(H,35,41);7-8,10-11H,5-6,9,12H2,1-4H3;1-7,13,21H,8-11H2;5-8H,9H2,1-4H3;4-5,7-8H,2-3,6,9H2,1H3,(H,21,22);1-4H2 |
| InChIKey | ZRBKKIHDIFYVPZ-UHFFFAOYSA-N |
| XLogP | 19.91 |
| TPSA | 347.30 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 140 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2012.94 |
| LogP ≤ 5 | 19.91 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 22 |