1-(4-methoxyphenyl)-6-[4-(morpholine-4-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzenecarboximidamide;4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N'-methylbenzenecarboximidamide;1-(4-methoxyphenyl)-6-[4-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
C121H116F15N25O11 — CID 157216862
Data last refreshed: (MolForge compound catalog, from PubChem)
About 1-(4-methoxyphenyl)-6-[4-(morpholine-4-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzenecarboximidamide;4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N'-methylbenzenecarboximidamide;1-(4-methoxyphenyl)-6-[4-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
1-(4-methoxyphenyl)-6-[4-(morpholine-4-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzenecarboximidamide;4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N'-methylbenzenecarboximidamide;1-(4-methoxyphenyl)-6-[4-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 157216862) has the molecular formula C121H116F15N25O11 and a molecular weight of 2381.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-(morpholine-4-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzenecarboximidamide;4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N'-methylbenzenecarboximidamide;1-(4-methoxyphenyl)-6-[4-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
Molecular Properties
| Compound Name | 1-(4-methoxyphenyl)-6-[4-(morpholine-4-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzenecarboximidamide;4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N'-methylbenzenecarboximidamide;1-(4-methoxyphenyl)-6-[4-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one |
|---|---|
| PubChem CID | 157216862 |
| Molecular Formula | C121H116F15N25O11 |
| Molecular Weight | 2381.39 g/mol |
| Exact Mass | 2379.90 |
| IUPAC Name | 1-(4-methoxyphenyl)-6-[4-(morpholine-4-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzenecarboximidamide;4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N'-methylbenzenecarboximidamide;1-(4-methoxyphenyl)-6-[4-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one |
| SMILES | C/N=C(\N)c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1.[H]/N=C(/c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1)N(C)C.[H]/N=C(/c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1)N1CCCC1.[H]/N=C(/c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1)N1CCCCC1.[H]/N=C(/c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1)N1CCOCC1 |
| InChI | InChI=1S/C26H26F3N5O2.C25H24F3N5O3.C25H24F3N5O2.C23H22F3N5O2.C22H20F3N5O2/c1-36-20-11-9-19(10-12-20)34-22-21(23(31-34)26(27,28)29)13-16-33(25(22)35)18-7-5-17(6-8-18)24(30)32-14-3-2-4-15-32;1-35-19-8-6-18(7-9-19)33-21-20(22(30-33)25(26,27)28)10-11-32(24(21)34)17-4-2-16(3-5-17)23(29)31-12-14-36-15-13-31;1-35-19-10-8-18(9-11-19)33-21-20(22(30-33)25(26,27)28)12-15-32(24(21)34)17-6-4-16(5-7-17)23(29)31-13-2-3-14-31;1-29(2)21(27)14-4-6-15(7-5-14)30-13-12-18-19(22(30)32)31(28-20(18)23(24,25)26)16-8-10-17(33-3)11-9-16;1-27-20(26)13-3-5-14(6-4-13)29-12-11-17-18(21(29)31)30(28-19(17)22(23,24)25)15-7-9-16(32-2)10-8-15/h5-12,30H,2-4,13-16H2,1H3;2-9,29H,10-15H2,1H3;4-11,29H,2-3,12-15H2,1H3;4-11,27H,12-13H2,1-3H3;3-10H,11-12H2,1-2H3,(H2,26,27)/b30-24-;2*29-23-;27-21-; |
| InChIKey | ASNFDUMLZWZWNT-AOBDAGSJSA-N |
| XLogP | 20.63 |
| TPSA | 392.77 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 172 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2381.39 |
| LogP ≤ 5 | 20.63 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 26 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 157216862 — identifiers, structure, computed properties (public domain)
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