About N-[[(3S,5S)-1-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3S)-4,4-difluoro-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide
N-[[(3S,5S)-1-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3S)-4,4-difluoro-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide (PubChem CID 158656491) has the molecular formula C109H123F16N41O11S4
and a molecular weight of 2615.69 g/mol. Its IUPAC name is N-[[(3S,5S)-1-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3S)-4,4-difluoro-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide.
Frequently Asked Questions
What is the IUPAC name of N-[[(3S,5S)-1-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3S)-4,4-difluoro-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide?
The IUPAC name of N-[[(3S,5S)-1-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3S)-4,4-difluoro-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide (CID 158656491) is N-[[(3S,5S)-1-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3S)-4,4-difluoro-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[[(3S,5S)-1-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3S)-4,4-difluoro-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[[(3S,5S)-1-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3S)-4,4-difluoro-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide is CC1[C@H](CO)C[C@@H](C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@@H]1C[C@H](CO)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(C)(F)F)nn34)ncn2)C[C@@H](CNS(C)(=O)=O)C1(F)F.NS(=O)(=O)CCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.NS(=O)(=O)CCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1.NS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCC1(F)F.
What is the InChIKey of N-[[(3S,5S)-1-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3S)-4,4-difluoro-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide?
The InChIKey is ICEXKMRYZQTFJX-KLVRQCCLSA-N. The full InChI is InChI=1S/C20H23F4N7O2S.C19H22F2N6O.C18H21F2N7O2S.C18H20F2N6O.C17H18F4N8O2S.C17H19F2N7O3S/c1-12-9-30(10-13(20(12,23)24)7-28-34(3,32)33)18-6-14(26-11-27-18)15-8-25-17-5-4-16(19(2,21)22)29-31(15)17;1-11-5-13(9-28)12(2)26(8-11)18-6-15(23-10-24-18)16-7-22-17-4-3-14(19(20)21)25-27(16)17;19-18(20)13-3-4-16-22-9-15(27(16)25-13)14-8-17(24-11-23-14)26-6-1-2-12(10-26)5-7-30(21,28)29;1-11-4-12(9-27)8-25(7-11)17-5-14(22-10-23-17)15-6-21-16-3-2-13(18(19)20)24-26(15)16;18-16(19)11-1-2-14-23-7-13(29(14)27-11)12-5-15(25-9-24-12)28-4-3-17(20,21)10(8-28)6-26-32(22,30)31;18-17(19)12-1-2-15-21-8-14(26(15)24-12)13-7-16(23-10-22-13)25-4-5-29-11(9-25)3-6-30(20,27)28/h4-6,8,11-13,28H,7,9-10H2,1-3H3;3-4,6-7,10-13,19,28H,5,8-9H2,1-2H3;3-4,8-9,11-12,18H,1-2,5-7,10H2,(H2,21,28,29);2-3,5-6,10-12,18,27H,4,7-9H2,1H3;1-2,5,7,9-10,16,26H,3-4,6,8H2,(H2,22,30,31);1-2,7-8,10-11,17H,3-6,9H2,(H2,20,27,28)/t12-,13+;11-,12?,13+;;11-,12+;10-;/m01.11./s1.
What are the key properties of N-[[(3S,5S)-1-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3S)-4,4-difluoro-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide?
N-[[(3S,5S)-1-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3S)-4,4-difluoro-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide has a molecular weight of 2615.69 g/mol, XLogP of 12.51, 32 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,5S)-1-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3S)-4,4-difluoro-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 158656491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).