C166H160ClF2N23O16 — CID 161207294
3-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide;N-cyclobutyl-2-(2-oxo-1H-pyridin-3-yl)-3-phenyl-1H-indole-5-carboxamide;3-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide;N-[3-(dimethylamino)propyl]-2-(2-oxo-1H-pyridin-3-yl)-3-phenyl-1H-indole-5-carboxamide;N-methyl-2-(2-oxo-1H-pyridin-3-yl)-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide;N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide (PubChem CID 161207294) has the molecular formula C166H160ClF2N23O16 and a molecular weight of 2806.70 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide;N-cyclobutyl-2-(2-oxo-1H-pyridin-3-yl)-3-phenyl-1H-indole-5-carboxamide;3-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide;N-[3-(dimethylamino)propyl]-2-(2-oxo-1H-pyridin-3-yl)-3-phenyl-1H-indole-5-carboxamide;N-methyl-2-(2-oxo-1H-pyridin-3-yl)-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide;N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide.
| Compound Name | 3-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide;N-cyclobutyl-2-(2-oxo-1H-pyridin-3-yl)-3-phenyl-1H-indole-5-carboxamide;3-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide;N-[3-(dimethylamino)propyl]-2-(2-oxo-1H-pyridin-3-yl)-3-phenyl-1H-indole-5-carboxamide;N-methyl-2-(2-oxo-1H-pyridin-3-yl)-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide;N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide |
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| PubChem CID | 161207294 |
| Molecular Formula | C166H160ClF2N23O16 |
| Molecular Weight | 2806.70 g/mol |
| Exact Mass | 2804.21 |
| IUPAC Name | 3-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide;N-cyclobutyl-2-(2-oxo-1H-pyridin-3-yl)-3-phenyl-1H-indole-5-carboxamide;3-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide;N-[3-(dimethylamino)propyl]-2-(2-oxo-1H-pyridin-3-yl)-3-phenyl-1H-indole-5-carboxamide;N-methyl-2-(2-oxo-1H-pyridin-3-yl)-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide;N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide |
| SMILES | CC(C)Oc1ccc(-c2c(-c3ccc[nH]c3=O)[nH]c3ccc(C(=O)NCCCN4CCOCC4)cc23)cc1.CN(C)CCCNC(=O)c1ccc2[nH]c(-c3ccc[nH]c3=O)c(-c3ccccc3)c2c1.CN(Cc1cccnc1)C(=O)c1ccc2[nH]c(-c3ccc[nH]c3=O)c(-c3ccc(-c4ccccc4)cc3)c2c1.O=C(NC1CCC1)c1ccc2[nH]c(-c3ccc[nH]c3=O)c(-c3ccccc3)c2c1.O=C(NCCCN1CCOCC1)c1ccc2[nH]c(-c3ccc[nH]c3=O)c(-c3ccc(F)c(F)c3)c2c1.O=C(NCCCN1CCOCC1)c1ccc2[nH]c(-c3ccc[nH]c3=O)c(-c3cccc(Cl)c3)c2c1 |
| InChI | InChI=1S/C33H26N4O2.C30H34N4O4.C27H27ClN4O3.C27H26F2N4O3.C25H26N4O2.C24H21N3O2/c1-37(21-22-7-5-17-34-20-22)33(39)26-15-16-29-28(19-26)30(31(36-29)27-10-6-18-35-32(27)38)25-13-11-24(12-14-25)23-8-3-2-4-9-23;1-20(2)38-23-9-6-21(7-10-23)27-25-19-22(29(35)31-13-4-14-34-15-17-37-18-16-34)8-11-26(25)33-28(27)24-5-3-12-32-30(24)36;28-20-5-1-4-18(16-20)24-22-17-19(26(33)29-10-3-11-32-12-14-35-15-13-32)7-8-23(22)31-25(24)21-6-2-9-30-27(21)34;28-21-6-4-17(16-22(21)29)24-20-15-18(26(34)30-9-2-10-33-11-13-36-14-12-33)5-7-23(20)32-25(24)19-3-1-8-31-27(19)35;1-29(2)15-7-14-26-24(30)18-11-12-21-20(16-18)22(17-8-4-3-5-9-17)23(28-21)19-10-6-13-27-25(19)31;28-23(26-17-8-4-9-17)16-11-12-20-19(14-16)21(15-6-2-1-3-7-15)22(27-20)18-10-5-13-25-24(18)29/h2-20,36H,21H2,1H3,(H,35,38);3,5-12,19-20,33H,4,13-18H2,1-2H3,(H,31,35)(H,32,36);1-2,4-9,16-17,31H,3,10-15H2,(H,29,33)(H,30,34);1,3-8,15-16,32H,2,9-14H2,(H,30,34)(H,31,35);3-6,8-13,16,28H,7,14-15H2,1-2H3,(H,26,30)(H,27,31);1-3,5-7,10-14,17,27H,4,8-9H2,(H,25,29)(H,26,28) |
| InChIKey | UVTUCIKCOREZLJ-UHFFFAOYSA-N |
| XLogP | 27.51 |
| TPSA | 520.48 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2806.70 |
| LogP ≤ 5 | 27.51 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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