About 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide
2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide (PubChem CID 165000536) has the molecular formula C198H224F4N48O20S10
and a molecular weight of 3992.95 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide.
Frequently Asked Questions
What is the IUPAC name of 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide?
The IUPAC name of 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide (CID 165000536) is 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide is CC(F)(F)c1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)nn1.CC(F)(F)c1ccc(N2CCN(C(=O)Cc3ccc(NS(C)(=O)=O)cc3)CC2)nn1.CN(C)c1ccc(CC(=O)N2CCN(c3nc4cccnc4o3)CC2)cc1.CN(C)c1ccc(CC(=O)N2CCN(c3nc4cccnc4s3)CC2)cc1.CN(C)c1ccc(CC(=O)N2CCN(c3nc4ncccc4s3)CC2)cc1.CN(C)c1ccc(CC(=O)N2CCN(c3nc4ncccc4s3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4cccnc4o3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4cccnc4s3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4ncccc4s3)CC2)cc1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ncccc3s2)CC1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide?
The InChIKey is IENQRGNGFCFDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O.C21H22N4OS.C20H23N5O2.3C20H23N5OS.C19H23F2N5O3S.C19H21N5O4S.2C19H21N5O3S2/c1-21(22,23)18-8-9-19(25-24-18)26-10-12-27(13-11-26)20(28)14-15-2-4-16(5-3-15)17-6-7-17;26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-20-18(27-21)2-1-9-22-20;1-23(2)16-7-5-15(6-8-16)14-18(26)24-10-12-25(13-11-24)20-22-17-4-3-9-21-19(17)27-20;2*1-23(2)16-7-5-15(6-8-16)14-18(26)24-10-12-25(13-11-24)20-22-19-17(27-20)4-3-9-21-19;1-23(2)16-7-5-15(6-8-16)14-18(26)24-10-12-25(13-11-24)20-22-17-4-3-9-21-19(17)27-20;1-19(20,21)16-7-8-17(23-22-16)25-9-11-26(12-10-25)18(27)13-14-3-5-15(6-4-14)24-30(2,28)29;1-29(26,27)22-15-6-4-14(5-7-15)13-17(25)23-9-11-24(12-10-23)19-21-16-3-2-8-20-18(16)28-19;1-29(26,27)22-15-6-4-14(5-7-15)13-17(25)23-9-11-24(12-10-23)19-21-18-16(28-19)3-2-8-20-18;1-29(26,27)22-15-6-4-14(5-7-15)13-17(25)23-9-11-24(12-10-23)19-21-16-3-2-8-20-18(16)28-19/h2-5,8-9,17H,6-7,10-14H2,1H3;1-6,9,17H,7-8,10-14H2;4*3-9H,10-14H2,1-2H3;3-8,24H,9-13H2,1-2H3;3*2-8,22H,9-13H2,1H3.
What are the key properties of 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide?
2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide has a molecular weight of 3992.95 g/mol, XLogP of 24.19, 46 rotatable bonds, 4 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 165000536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).