About 4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1S)-1-(3,5-difluorophenyl)ethyl]-1-(2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1S)-1-(3,5-difluorophenyl)ethyl]-1-(2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile (PubChem CID 167555547) has the molecular formula C125H110F12N22O5
and a molecular weight of 2228.38 g/mol. Its IUPAC name is 4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1S)-1-(3,5-difluorophenyl)ethyl]-1-(2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of 4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1S)-1-(3,5-difluorophenyl)ethyl]-1-(2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1S)-1-(3,5-difluorophenyl)ethyl]-1-(2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile (CID 167555547) is 4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1S)-1-(3,5-difluorophenyl)ethyl]-1-(2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1S)-1-(3,5-difluorophenyl)ethyl]-1-(2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1S)-1-(3,5-difluorophenyl)ethyl]-1-(2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile is CC(F)(F)c1cccc(CC2(C#N)CCN(C(=O)c3cccnc3-c3ccncc3)CC2)c1F.CC(F)(F)c1cccc(CC2(C#N)CCN(C(=O)c3cccnc3-c3ccncn3)CC2)c1F.CC(F)(F)c1ccccc1CC1(C#N)CCN(C(=O)c2cccnc2-c2ccncn2)CC1.C[C@@H](c1cc(F)cc(F)c1)C1(C#N)CCN(C(=O)c2ccccc2-c2ccncc2)CC1.N#CC1(Cc2cc(F)ccc2F)CCN(C(=O)c2cccnc2-c2ccncn2)CC1.
What is the InChIKey of 4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1S)-1-(3,5-difluorophenyl)ethyl]-1-(2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
The InChIKey is CYRNKQYPXCMDEY-OGLOXHGMSA-N. The full InChI is InChI=1S/C26H23F3N4O.C26H23F2N3O.C25H22F3N5O.C25H23F2N5O.C23H19F2N5O/c1-25(28,29)21-6-2-4-19(22(21)27)16-26(17-30)9-14-33(15-10-26)24(34)20-5-3-11-32-23(20)18-7-12-31-13-8-18;1-18(20-14-21(27)16-22(28)15-20)26(17-29)8-12-31(13-9-26)25(32)24-5-3-2-4-23(24)19-6-10-30-11-7-19;1-24(27,28)19-6-2-4-17(21(19)26)14-25(15-29)8-12-33(13-9-25)23(34)18-5-3-10-31-22(18)20-7-11-30-16-32-20;1-24(26,27)20-7-3-2-5-18(20)15-25(16-28)9-13-32(14-10-25)23(33)19-6-4-11-30-22(19)21-8-12-29-17-31-21;24-17-3-4-19(25)16(12-17)13-23(14-26)6-10-30(11-7-23)22(31)18-2-1-8-28-21(18)20-5-9-27-15-29-20/h2-8,11-13H,9-10,14-16H2,1H3;2-7,10-11,14-16,18H,8-9,12-13H2,1H3;2-7,10-11,16H,8-9,12-14H2,1H3;2-8,11-12,17H,9-10,13-15H2,1H3;1-5,8-9,12,15H,6-7,10-11,13H2/t;18-;;;/m.0.../s1.
What are the key properties of 4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1S)-1-(3,5-difluorophenyl)ethyl]-1-(2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1S)-1-(3,5-difluorophenyl)ethyl]-1-(2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile has a molecular weight of 2228.38 g/mol, XLogP of 24.18, 23 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1S)-1-(3,5-difluorophenyl)ethyl]-1-(2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 167555547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).