N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[6-(dimethylamino)hexyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(dimethylamino)pentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-naphthalen-1-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-N-(4-pyrrolidin-1-ylbutyl)benzamide
C164H146F21N37O12 — CID 161134894
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[6-(dimethylamino)hexyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(dimethylamino)pentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-naphthalen-1-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-N-(4-pyrrolidin-1-ylbutyl)benzamide
N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[6-(dimethylamino)hexyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(dimethylamino)pentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-naphthalen-1-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-N-(4-pyrrolidin-1-ylbutyl)benzamide (PubChem CID 161134894) has the molecular formula C164H146F21N37O12 and a molecular weight of 3226.18 g/mol. Its IUPAC name is N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[6-(dimethylamino)hexyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(dimethylamino)pentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-naphthalen-1-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-N-(4-pyrrolidin-1-ylbutyl)benzamide.
Molecular Properties
| Compound Name | N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[6-(dimethylamino)hexyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(dimethylamino)pentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-naphthalen-1-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-N-(4-pyrrolidin-1-ylbutyl)benzamide |
|---|---|
| PubChem CID | 161134894 |
| Molecular Formula | C164H146F21N37O12 |
| Molecular Weight | 3226.18 g/mol |
| Exact Mass | 3224.16 |
| IUPAC Name | N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[6-(dimethylamino)hexyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(dimethylamino)pentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-naphthalen-1-yl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-N-(4-pyrrolidin-1-ylbutyl)benzamide |
| SMILES | C=Cc1nc(NC(=O)c2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)[nH]c1C=C.CN(C)CCCCCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.CN(C)CCCCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(NCCCCN1CCCC1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1.O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2N=C(c3cccnc3)CC2(O)C(F)(F)F)nc1.O=C(Nc1cccc2ccccc12)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1 |
| InChI | InChI=1S/C25H16F3N5O.C24H26F3N5O.C24H28F3N5O.C23H18F3N5O4.C23H16F3N5O3.C23H26F3N5O.C22H16F3N7O/c26-25(27,28)22-13-21(17-7-4-12-29-14-17)32-33(22)23-11-10-18(15-30-23)24(34)31-20-9-3-6-16-5-1-2-8-19(16)20;25-24(26,27)22-16-21(19-6-5-11-28-17-19)30-32(22)20-9-7-18(8-10-20)23(33)29-12-1-2-13-31-14-3-4-15-31;1-31(2)15-6-4-3-5-14-29-23(33)18-9-11-20(12-10-18)32-22(24(25,26)27)16-21(30-32)19-8-7-13-28-17-19;24-23(25,26)22(33)11-17(14-2-1-7-27-12-14)30-31(22)20-6-3-15(13-28-20)21(32)29-16-4-5-18-19(10-16)35-9-8-34-18;24-23(25,26)20-11-17(14-2-1-7-27-12-14)30-31(20)21-6-3-15(13-28-21)22(32)29-16-4-5-18-19(10-16)34-9-8-33-18;1-30(2)14-5-3-4-13-28-22(32)17-8-10-19(11-9-17)31-21(23(24,25)26)15-20(29-31)18-7-6-12-27-16-18;1-3-15-16(4-2)29-21(28-15)30-20(33)14-7-8-19(27-12-14)32-18(22(23,24)25)10-17(31-32)13-6-5-9-26-11-13/h1-15H,(H,31,34);5-11,16-17H,1-4,12-15H2,(H,29,33);7-13,16-17H,3-6,14-15H2,1-2H3,(H,29,33);1-7,10,12-13,33H,8-9,11H2,(H,29,32);1-7,10-13H,8-9H2,(H,29,32);6-12,15-16H,3-5,13-14H2,1-2H3,(H,28,32);3-12H,1-2H2,(H2,28,29,30,33) |
| InChIKey | UMQWJKSODSZMDS-UHFFFAOYSA-N |
| XLogP | 31.88 |
| TPSA | 563.56 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 234 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3226.18 |
| LogP ≤ 5 | 31.88 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 41 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
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Sources
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