N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine

C108H128F12N44O11S5 — CID 159950082

IUPACN-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine
SMILESCC1C(CNS(C)(=O)=O)N(C)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)NCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CN(CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)S(C)(=O)=O.CN(CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)S(N)(=O)=O.C[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@@H](CNS(C)(=O)=O)O1.FC(F)c1ccc2ncc(-c3cc(N4CCCCC4)ncn3)n2n1
InChIInChI=1S/C19H24F2N8O2S.C19H23F2N7O2S.2C18H22F2N8O2S.C18H21F2N7O3S.C16H16F2N6/c1-12-15(10-25-32(3,30)31)27(2)6-7-28(12)18-8-14(23-11-24-18)16-9-22-17-5-4-13(19(20)21)26-29(16)17;1-26(31(2,29)30)10-13-4-3-7-27(11-13)18-8-15(23-12-24-18)16-9-22-17-6-5-14(19(20)21)25-28(16)17;1-11-14(8-25-31(2,29)30)21-5-6-27(11)17-7-13(23-10-24-17)15-9-22-16-4-3-12(18(19)20)26-28(15)16;1-26(31(21,29)30)9-12-3-2-6-27(10-12)17-7-14(23-11-24-17)15-8-22-16-5-4-13(18(19)20)25-28(15)16;1-11-8-26(9-12(30-11)6-24-31(2,28)29)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;17-16(18)11-4-5-14-19-9-13(24(14)22-11)12-8-15(21-10-20-12)23-6-2-1-3-7-23/h4-5,8-9,11-12,15,19,25H,6-7,10H2,1-3H3;5-6,8-9,12-13,19H,3-4,7,10-11H2,1-2H3;3-4,7,9-11,14,18,21,25H,5-6,8H2,1-2H3;4-5,7-8,11-12,18H,2-3,6,9-10H2,1H3,(H2,21,29,30);3-5,7,10-12,18,24H,6,8-9H2,1-2H3;4-5,8-10,16H,1-3,6-7H2/t;;;;11-,12-;/m....1./s1
InChIKeyOBZMGMMSXIEJNL-IJPIOGINSA-N
MW2606.82 g/mol
LogP10.11
Rot. Bonds33

About N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine

N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine (PubChem CID 159950082) has the molecular formula C108H128F12N44O11S5 and a molecular weight of 2606.82 g/mol. Its IUPAC name is N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound NameN-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine
PubChem CID159950082
Molecular FormulaC108H128F12N44O11S5
Molecular Weight2606.82 g/mol
Exact Mass2604.92
IUPAC NameN-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine
SMILESCC1C(CNS(C)(=O)=O)N(C)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)NCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CN(CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)S(C)(=O)=O.CN(CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)S(N)(=O)=O.C[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@@H](CNS(C)(=O)=O)O1.FC(F)c1ccc2ncc(-c3cc(N4CCCCC4)ncn3)n2n1
InChIInChI=1S/C19H24F2N8O2S.C19H23F2N7O2S.2C18H22F2N8O2S.C18H21F2N7O3S.C16H16F2N6/c1-12-15(10-25-32(3,30)31)27(2)6-7-28(12)18-8-14(23-11-24-18)16-9-22-17-5-4-13(19(20)21)26-29(16)17;1-26(31(2,29)30)10-13-4-3-7-27(11-13)18-8-15(23-12-24-18)16-9-22-17-6-5-14(19(20)21)25-28(16)17;1-11-14(8-25-31(2,29)30)21-5-6-27(11)17-7-13(23-10-24-17)15-9-22-16-4-3-12(18(19)20)26-28(15)16;1-26(31(21,29)30)9-12-3-2-6-27(10-12)17-7-14(23-11-24-17)15-8-22-16-5-4-13(18(19)20)25-28(15)16;1-11-8-26(9-12(30-11)6-24-31(2,28)29)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;17-16(18)11-4-5-14-19-9-13(24(14)22-11)12-8-15(21-10-20-12)23-6-2-1-3-7-23/h4-5,8-9,11-12,15,19,25H,6-7,10H2,1-3H3;5-6,8-9,12-13,19H,3-4,7,10-11H2,1-2H3;3-4,7,9-11,14,18,21,25H,5-6,8H2,1-2H3;4-5,7-8,11-12,18H,2-3,6,9-10H2,1H3,(H2,21,29,30);3-5,7,10-12,18,24H,6,8-9H2,1-2H3;4-5,8-10,16H,1-3,6-7H2/t;;;;11-,12-;/m....1./s1
InChIKeyOBZMGMMSXIEJNL-IJPIOGINSA-N
XLogP10.11
TPSA619.05 Ų
H-Bond Donors5
H-Bond Acceptors49
Rotatable Bonds33
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002606.82
LogP ≤ 510.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1049

Analyze N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine with MolForge

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Related Compounds

4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 159323399
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
CID 139359352
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 153418464
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpyrrolidin-3-yl]methyl]methanesulfonamide
CID 139358279
N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
CID 160948846
N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343828
6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 146887524
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide
CID 139357557
4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine
CID 139359533
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 139359424
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-isocyanopiperidin-3-yl]methyl]methanesulfonamide
CID 153418410
6-(difluoromethyl)-3-[6-[3-[(sulfinatoamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 139357894

Frequently Asked Questions

What is the IUPAC name of N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine (CID 159950082) is N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine is CC1C(CNS(C)(=O)=O)N(C)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)NCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CN(CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)S(C)(=O)=O.CN(CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)S(N)(=O)=O.C[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@@H](CNS(C)(=O)=O)O1.FC(F)c1ccc2ncc(-c3cc(N4CCCCC4)ncn3)n2n1.
What is the InChIKey of N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine?
The InChIKey is OBZMGMMSXIEJNL-IJPIOGINSA-N. The full InChI is InChI=1S/C19H24F2N8O2S.C19H23F2N7O2S.2C18H22F2N8O2S.C18H21F2N7O3S.C16H16F2N6/c1-12-15(10-25-32(3,30)31)27(2)6-7-28(12)18-8-14(23-11-24-18)16-9-22-17-5-4-13(19(20)21)26-29(16)17;1-26(31(2,29)30)10-13-4-3-7-27(11-13)18-8-15(23-12-24-18)16-9-22-17-6-5-14(19(20)21)25-28(16)17;1-11-14(8-25-31(2,29)30)21-5-6-27(11)17-7-13(23-10-24-17)15-9-22-16-4-3-12(18(19)20)26-28(15)16;1-26(31(21,29)30)9-12-3-2-6-27(10-12)17-7-14(23-11-24-17)15-8-22-16-5-4-13(18(19)20)25-28(15)16;1-11-8-26(9-12(30-11)6-24-31(2,28)29)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;17-16(18)11-4-5-14-19-9-13(24(14)22-11)12-8-15(21-10-20-12)23-6-2-1-3-7-23/h4-5,8-9,11-12,15,19,25H,6-7,10H2,1-3H3;5-6,8-9,12-13,19H,3-4,7,10-11H2,1-2H3;3-4,7,9-11,14,18,21,25H,5-6,8H2,1-2H3;4-5,7-8,11-12,18H,2-3,6,9-10H2,1H3,(H2,21,29,30);3-5,7,10-12,18,24H,6,8-9H2,1-2H3;4-5,8-10,16H,1-3,6-7H2/t;;;;11-,12-;/m....1./s1.
What are the key properties of N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine?
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine has a molecular weight of 2606.82 g/mol, XLogP of 10.11, 33 rotatable bonds, 5 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 159950082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).