C128H145BrCl3N19O6 — CID 159849015
3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one (PubChem CID 159849015) has the molecular formula C128H145BrCl3N19O6 and a molecular weight of 2231.96 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one.
| Compound Name | 3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one |
|---|---|
| PubChem CID | 159849015 |
| Molecular Formula | C128H145BrCl3N19O6 |
| Molecular Weight | 2231.96 g/mol |
| Exact Mass | 2227.99 |
| IUPAC Name | 3-(3-bromophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(4-chlorophenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;4-(2-chloro-4-pyridinyl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)pyridin-2-one;1-methyl-3-naphthalen-2-yl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one |
| SMILES | CC(C)NC[C@@H]1CCCN1c1cc(-c2ccncc2)c(-c2ccc(Cl)cc2)c(=O)n1C.CC(C)NC[C@H]1CCCN1c1cc(-c2ccncc2)c(-c2ccc(Cl)cc2)c(=O)n1C.CC(C)NC[C@H]1CCCN1c1cc(-c2ccncc2)c(-c2ccc3ccccc3c2)c(=O)n1C.CC(C)NC[C@H]1CCCN1c1cc(-c2ccncc2)c(-c2cccc(Br)c2)c(=O)n1C.COC[C@@H]1CCCN1c1cc(-c2ccnc(Cl)c2)c(-c2cccc(C)c2)c(=O)n1C |
| InChI | InChI=1S/C29H32N4O.C25H29BrN4O.2C25H29ClN4O.C24H26ClN3O2/c1-20(2)31-19-25-9-6-16-33(25)27-18-26(22-12-14-30-15-13-22)28(29(34)32(27)3)24-11-10-21-7-4-5-8-23(21)17-24;1-17(2)28-16-21-8-5-13-30(21)23-15-22(18-9-11-27-12-10-18)24(25(31)29(23)3)19-6-4-7-20(26)14-19;2*1-17(2)28-16-21-5-4-14-30(21)23-15-22(18-10-12-27-13-11-18)24(25(31)29(23)3)19-6-8-20(26)9-7-19;1-16-6-4-7-18(12-16)23-20(17-9-10-26-21(25)13-17)14-22(27(2)24(23)29)28-11-5-8-19(28)15-30-3/h4-5,7-8,10-15,17-18,20,25,31H,6,9,16,19H2,1-3H3;4,6-7,9-12,14-15,17,21,28H,5,8,13,16H2,1-3H3;2*6-13,15,17,21,28H,4-5,14,16H2,1-3H3;4,6-7,9-10,12-14,19H,5,8,11,15H2,1-3H3/t25-;3*21-;19-/m11100/s1 |
| InChIKey | NPRMCRAEQIJHRB-RNTYDUJISA-N |
| XLogP | 24.24 |
| TPSA | 248.00 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 157 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2231.96 |
| LogP ≤ 5 | 24.24 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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