N-[5-benzyl-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[1-(3-methoxypropyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[5-(2-methyl-1,3-dihydropyrazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[5-[2-(morpholine-4-carbonyl)phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-phenyl-1-(2-propan-2-yloxyethyl)-3-pyridinyl]piperidine-1-carboxamide
C134H142F9N33O19 — CID 159601001
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-[5-benzyl-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[1-(3-methoxypropyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[5-(2-methyl-1,3-dihydropyrazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[5-[2-(morpholine-4-carbonyl)phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-phenyl-1-(2-propan-2-yloxyethyl)-3-pyridinyl]piperidine-1-carboxamide
N-[5-benzyl-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[1-(3-methoxypropyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[5-(2-methyl-1,3-dihydropyrazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[5-[2-(morpholine-4-carbonyl)phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-phenyl-1-(2-propan-2-yloxyethyl)-3-pyridinyl]piperidine-1-carboxamide (PubChem CID 159601001) has the molecular formula C134H142F9N33O19 and a molecular weight of 2689.80 g/mol. Its IUPAC name is N-[5-benzyl-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[1-(3-methoxypropyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[5-(2-methyl-1,3-dihydropyrazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[5-[2-(morpholine-4-carbonyl)phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-phenyl-1-(2-propan-2-yloxyethyl)-3-pyridinyl]piperidine-1-carboxamide.
Molecular Properties
| Compound Name | N-[5-benzyl-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[1-(3-methoxypropyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[5-(2-methyl-1,3-dihydropyrazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[5-[2-(morpholine-4-carbonyl)phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-phenyl-1-(2-propan-2-yloxyethyl)-3-pyridinyl]piperidine-1-carboxamide |
|---|---|
| PubChem CID | 159601001 |
| Molecular Formula | C134H142F9N33O19 |
| Molecular Weight | 2689.80 g/mol |
| Exact Mass | 2688.10 |
| IUPAC Name | N-[5-benzyl-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[1-(3-methoxypropyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[5-(2-methyl-1,3-dihydropyrazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[5-[2-(morpholine-4-carbonyl)phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-phenyl-1-(2-propan-2-yloxyethyl)-3-pyridinyl]piperidine-1-carboxamide |
| SMILES | CC(C)OCCn1cc(-c2ccccc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O.CN1NC=CC1c1cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c(=O)n(CC(F)(F)F)c1.COCCCn1cc(-c2ccccc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O.O=C(Nc1cc(-c2ccccc2C(=O)N2CCOCC2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(Nc1cc(Cc2ccccc2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 |
| InChI | InChI=1S/C30H30F3N7O5.C28H32N6O4.C27H30N6O4.C26H25F3N6O3.C23H25F3N8O3/c31-30(32,33)18-39-17-19(21-4-1-2-5-22(21)26(41)37-12-14-45-15-13-37)16-23(27(39)42)35-28(43)38-10-7-20(8-11-38)40-24-6-3-9-34-25(24)36-29(40)44;1-19(2)38-16-15-33-18-21(20-7-4-3-5-8-20)17-23(26(33)35)30-27(36)32-13-10-22(11-14-32)34-24-9-6-12-29-25(24)31-28(34)37;1-37-16-6-13-32-18-20(19-7-3-2-4-8-19)17-22(25(32)34)29-26(35)31-14-10-21(11-15-31)33-23-9-5-12-28-24(23)30-27(33)36;27-26(28,29)16-34-15-18(13-17-5-2-1-3-6-17)14-20(23(34)36)31-24(37)33-11-8-19(9-12-33)35-21-7-4-10-30-22(21)32-25(35)38;1-31-17(4-8-28-31)14-11-16(20(35)33(12-14)13-23(24,25)26)29-21(36)32-9-5-15(6-10-32)34-18-3-2-7-27-19(18)30-22(34)37/h1-6,9,16-17,20H,7-8,10-15,18H2,(H,35,43)(H,34,36,44);3-9,12,17-19,22H,10-11,13-16H2,1-2H3,(H,30,36)(H,29,31,37);2-5,7-9,12,17-18,21H,6,10-11,13-16H2,1H3,(H,29,35)(H,28,30,36);1-7,10,14-15,19H,8-9,11-13,16H2,(H,31,37)(H,30,32,38);2-4,7-8,11-12,15,17,28H,5-6,9-10,13H2,1H3,(H,29,36)(H,27,30,37) |
| InChIKey | MLMCQOBPCDIROJ-UHFFFAOYSA-N |
| XLogP | 16.99 |
| TPSA | 588.37 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 195 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2689.80 |
| LogP ≤ 5 | 16.99 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 36 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
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Sources
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