1-[3-[3-(cyclohexen-1-yl)anilino]-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-cyclohexylanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxypropyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
C135H160N28O7S — CID 159218146
Data last refreshed: (MolForge compound catalog, from PubChem)
About 1-[3-[3-(cyclohexen-1-yl)anilino]-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-cyclohexylanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxypropyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
1-[3-[3-(cyclohexen-1-yl)anilino]-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-cyclohexylanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxypropyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 159218146) has the molecular formula C135H160N28O7S and a molecular weight of 2319.02 g/mol. Its IUPAC name is 1-[3-[3-(cyclohexen-1-yl)anilino]-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-cyclohexylanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxypropyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
Molecular Properties
| Compound Name | 1-[3-[3-(cyclohexen-1-yl)anilino]-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-cyclohexylanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxypropyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone |
|---|---|
| PubChem CID | 159218146 |
| Molecular Formula | C135H160N28O7S |
| Molecular Weight | 2319.02 g/mol |
| Exact Mass | 2317.27 |
| IUPAC Name | 1-[3-[3-(cyclohexen-1-yl)anilino]-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-cyclohexylanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxypropyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone |
| SMILES | CC(=O)N1CCc2c(c(Nc3cccc(-c4ccccn4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cncs4)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(C4=CCCCC4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(C4CCCCC4)c3)nn2CC2CC2)C1.CCC(O)c1cccc(-c2cccc(Nc3nn(CC4CC4)c4c3CN(C(C)=O)CC4)c2)c1 |
| InChI | InChI=1S/C27H32N4O2.C24H32N4O.C24H30N4O.C23H25N5O.C19H22N6O.C18H19N5OS/c1-3-26(33)22-8-4-6-20(14-22)21-7-5-9-23(15-21)28-27-24-17-30(18(2)32)13-12-25(24)31(29-27)16-19-10-11-19;2*1-17(29)27-13-12-23-22(16-27)24(26-28(23)15-18-10-11-18)25-21-9-5-8-20(14-21)19-6-3-2-4-7-19;1-16(29)27-12-10-22-20(15-27)23(26-28(22)14-17-8-9-17)25-19-6-4-5-18(13-19)21-7-2-3-11-24-21;1-13(26)25-8-7-18-17(12-25)19(22-24(18)3)21-16-6-4-5-14(9-16)15-10-20-23(2)11-15;1-12(24)23-7-6-16-15(10-23)18(21-22(16)2)20-14-5-3-4-13(8-14)17-9-19-11-25-17/h4-9,14-15,19,26,33H,3,10-13,16-17H2,1-2H3,(H,28,29);5,8-9,14,18-19H,2-4,6-7,10-13,15-16H2,1H3,(H,25,26);5-6,8-9,14,18H,2-4,7,10-13,15-16H2,1H3,(H,25,26);2-7,11,13,17H,8-10,12,14-15H2,1H3,(H,25,26);4-6,9-11H,7-8,12H2,1-3H3,(H,21,22);3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,21) |
| InChIKey | KRIMHILCUPPFHM-UHFFFAOYSA-N |
| XLogP | 24.60 |
| TPSA | 364.79 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 171 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2319.02 |
| LogP ≤ 5 | 24.60 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 30 |
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Sources
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