4-[4-(2-aminoethyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-[cyclohexyl(methyl)amino]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-fluoropiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methanesulfinate;6-methyl-4-(4-pyrazin-2-ylpiperidine-1-carbonyl)-1H-pyrrolo[2,3-c]pyridin-7-one
C149H176ClF2N30O18S- — CID 161485687
Data last refreshed: (MolForge compound catalog, from PubChem)
About 4-[4-(2-aminoethyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-[cyclohexyl(methyl)amino]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-fluoropiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methanesulfinate;6-methyl-4-(4-pyrazin-2-ylpiperidine-1-carbonyl)-1H-pyrrolo[2,3-c]pyridin-7-one
4-[4-(2-aminoethyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-[cyclohexyl(methyl)amino]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-fluoropiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methanesulfinate;6-methyl-4-(4-pyrazin-2-ylpiperidine-1-carbonyl)-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 161485687) has the molecular formula C149H176ClF2N30O18S- and a molecular weight of 2780.75 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-[cyclohexyl(methyl)amino]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-fluoropiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methanesulfinate;6-methyl-4-(4-pyrazin-2-ylpiperidine-1-carbonyl)-1H-pyrrolo[2,3-c]pyridin-7-one.
Molecular Properties
| Compound Name | 4-[4-(2-aminoethyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-[cyclohexyl(methyl)amino]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-fluoropiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methanesulfinate;6-methyl-4-(4-pyrazin-2-ylpiperidine-1-carbonyl)-1H-pyrrolo[2,3-c]pyridin-7-one |
|---|---|
| PubChem CID | 161485687 |
| Molecular Formula | C149H176ClF2N30O18S- |
| Molecular Weight | 2780.75 g/mol |
| Exact Mass | 2778.32 |
| IUPAC Name | 4-[4-(2-aminoethyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-[cyclohexyl(methyl)amino]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-fluoropiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methanesulfinate;6-methyl-4-(4-pyrazin-2-ylpiperidine-1-carbonyl)-1H-pyrrolo[2,3-c]pyridin-7-one |
| SMILES | CN(C1CCCCC1)C1CCN(C(=O)c2cn(C)c(=O)c3[nH]ccc23)CC1.CS(=O)[O-].Cn1cc(C(=O)N2CCC(C(C)(C)C)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)N2CCC(CCN)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)N2CCC(F)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)N2CCC(c3cccc(F)c3)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)N2CCC(c3cnccn3)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)N2CCC(n3cnc4ccccc43)CC2)c2cc[nH]c2c1=O |
| InChI | InChI=1S/C21H21N5O2.C21H30N4O2.C20H20ClN3O2.C20H20FN3O2.C18H19N5O2.C18H25N3O2.C16H22N4O2.C14H16FN3O2.CH4O2S/c1-24-12-16(15-6-9-22-19(15)21(24)28)20(27)25-10-7-14(8-11-25)26-13-23-17-4-2-3-5-18(17)26;1-23-14-18(17-8-11-22-19(17)21(23)27)20(26)25-12-9-16(10-13-25)24(2)15-6-4-3-5-7-15;1-23-12-17(16-6-9-22-18(16)20(23)26)19(25)24-10-7-14(8-11-24)13-2-4-15(21)5-3-13;1-23-12-17(16-5-8-22-18(16)20(23)26)19(25)24-9-6-13(7-10-24)14-3-2-4-15(21)11-14;1-22-11-14(13-2-5-21-16(13)18(22)25)17(24)23-8-3-12(4-9-23)15-10-19-6-7-20-15;1-18(2,3)12-6-9-21(10-7-12)16(22)14-11-20(4)17(23)15-13(14)5-8-19-15;1-19-10-13(12-3-7-18-14(12)16(19)22)15(21)20-8-4-11(2-6-17)5-9-20;1-17-8-11(10-2-5-16-12(10)14(17)20)13(19)18-6-3-9(15)4-7-18;1-4(2)3/h2-6,9,12-14,22H,7-8,10-11H2,1H3;8,11,14-16,22H,3-7,9-10,12-13H2,1-2H3;2-6,9,12,14,22H,7-8,10-11H2,1H3;2-5,8,11-13,22H,6-7,9-10H2,1H3;2,5-7,10-12,21H,3-4,8-9H2,1H3;5,8,11-12,19H,6-7,9-10H2,1-4H3;3,7,10-11,18H,2,4-6,8-9,17H2,1H3;2,5,8-9,16H,3-4,6-7H2,1H3;1H3,(H,2,3)/p-1 |
| InChIKey | IHEGFISMGBTHSV-UHFFFAOYSA-M |
| XLogP | 18.44 |
| TPSA | 577.79 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 201 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2780.75 |
| LogP ≤ 5 | 18.44 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 32 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'} |
|---|
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Sources
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