C144H146F3N25O6 — CID 158728992
[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-[(5-methylindazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;5-[2-[3-[(5-methylindazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyridine-3-carbonitrile;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(2-phenylazetidin-1-yl)methanone (PubChem CID 158728992) has the molecular formula C144H146F3N25O6 and a molecular weight of 2379.91 g/mol. Its IUPAC name is [4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-[(5-methylindazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;5-[2-[3-[(5-methylindazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyridine-3-carbonitrile;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(2-phenylazetidin-1-yl)methanone.
| Compound Name | [4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-[(5-methylindazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;5-[2-[3-[(5-methylindazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyridine-3-carbonitrile;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(2-phenylazetidin-1-yl)methanone |
|---|---|
| PubChem CID | 158728992 |
| Molecular Formula | C144H146F3N25O6 |
| Molecular Weight | 2379.91 g/mol |
| Exact Mass | 2378.18 |
| IUPAC Name | [4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-[(5-methylindazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;5-[2-[3-[(5-methylindazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyridine-3-carbonitrile;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(2-phenylazetidin-1-yl)methanone |
| SMILES | Cc1ccc(C2CC=NN2C(=O)C23CC(Cn4ncc5cc(C)ccc54)(C2)C3)nc1.Cc1ccc2c(cnn2CC23CC(C(=O)N4CC(F)CC4c4cccc(F)c4)(C2)C3)c1.Cc1ccc2c(cnn2CC23CC(C(=O)N4CCC4c4ccccc4)(C2)C3)c1.Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4cccc(C#N)c4)(C2)C3)c1.Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4cncc(C#N)c4)(C2)C3)c1.Cc1cnn(CC23CC(C(=O)N4CC(C)CC4c4cccc(F)c4)(C2)C3)c1 |
| InChI | InChI=1S/C25H25F2N3O.C25H23N5O.C24H22N6O.C24H25N5O.C24H25N3O.C22H26FN3O/c1-16-5-6-21-18(7-16)10-28-30(21)15-24-12-25(13-24,14-24)23(31)29-11-20(27)9-22(29)17-3-2-4-19(26)8-17;1-17-5-6-21-20(9-17)12-28-29(21)16-24-13-25(14-24,15-24)23(31)30-22(7-8-27-30)19-4-2-3-18(10-19)11-26;1-16-2-3-20-18(6-16)11-28-29(20)15-23-12-24(13-23,14-23)22(31)30-21(4-5-27-30)19-7-17(8-25)9-26-10-19;1-16-4-6-20-18(9-16)11-27-28(20)15-23-12-24(13-23,14-23)22(30)29-21(7-8-26-29)19-5-3-17(2)10-25-19;1-17-7-8-21-19(11-17)12-25-27(21)16-23-13-24(14-23,15-23)22(28)26-10-9-20(26)18-5-3-2-4-6-18;1-15-6-19(17-4-3-5-18(23)7-17)26(10-15)20(27)22-11-21(12-22,13-22)14-25-9-16(2)8-24-25/h2-8,10,20,22H,9,11-15H2,1H3;2-6,8-10,12,22H,7,13-16H2,1H3;2-3,5-7,9-11,21H,4,12-15H2,1H3;3-6,8-11,21H,7,12-15H2,1-2H3;2-8,11-12,20H,9-10,13-16H2,1H3;3-5,7-9,15,19H,6,10-14H2,1-2H3 |
| InChIKey | IKWBCNRJLKZEHD-UHFFFAOYSA-N |
| XLogP | 25.83 |
| TPSA | 339.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 178 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2379.91 |
| LogP ≤ 5 | 25.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |