N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide

C110H122F12N46O12S4 — CID 158551886

IUPACN-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
SMILESCC1C(CNS(C)(=O)=O)OC(F)(F)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1[C@H](CNS(C)(=O)=O)O[C@@H](C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@@H](CNS(C)(=O)=O)O1.Cc1ccc2ncc(-c3cc(N4CCO[C@H](CNS(C)(=O)=O)C4)ncn3)n2n1.FC(F)c1ccc2ncc(-c3cc(N4CCCC(Cn5ccnn5)C4)ncn3)n2n1.FC(F)c1ccc2ncc(-c3cc(N4CCCC(Cn5cncn5)C4)ncn3)n2n1
InChIInChI=1S/2C19H19F2N9.C19H23F2N7O3S.C18H19F4N7O3S.C18H21F2N7O3S.C17H21N7O3S/c20-19(21)14-3-4-17-22-9-16(30(17)26-14)15-8-18(24-12-23-15)28-6-1-2-13(10-28)11-29-7-5-25-27-29;20-19(21)14-3-4-17-23-7-16(30(17)27-14)15-6-18(25-11-24-15)28-5-1-2-13(8-28)9-29-12-22-10-26-29;1-11-9-27(12(2)16(31-11)8-25-32(3,29)30)18-6-14(23-10-24-18)15-7-22-17-5-4-13(19(20)21)26-28(15)17;1-10-14(7-26-33(2,30)31)32-18(21,22)8-28(10)16-5-12(24-9-25-16)13-6-23-15-4-3-11(17(19)20)27-29(13)15;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;1-12-3-4-16-18-9-15(24(16)22-12)14-7-17(20-11-19-14)23-5-6-27-13(10-23)8-21-28(2,25)26/h3-5,7-9,12-13,19H,1-2,6,10-11H2;3-4,6-7,10-13,19H,1-2,5,8-9H2;4-7,10-12,16,19,25H,8-9H2,1-3H3;3-6,9-10,14,17,26H,7-8H2,1-2H3;3-5,7,10-12,18,24H,6,8-9H2,1-2H3;3-4,7,9,11,13,21H,5-6,8,10H2,1-2H3/t;;11-,12?,16-;;11-,12+;13-/m..0.01/s1
InChIKeyHPUZKAUCFPFJMY-MXZKNMSHSA-N
MW2636.74 g/mol
LogP10.29
Rot. Bonds33

About N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide

N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide (PubChem CID 158551886) has the molecular formula C110H122F12N46O12S4 and a molecular weight of 2636.74 g/mol. Its IUPAC name is N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
PubChem CID158551886
Molecular FormulaC110H122F12N46O12S4
Molecular Weight2636.74 g/mol
Exact Mass2634.90
IUPAC NameN-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
SMILESCC1C(CNS(C)(=O)=O)OC(F)(F)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1[C@H](CNS(C)(=O)=O)O[C@@H](C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@@H](CNS(C)(=O)=O)O1.Cc1ccc2ncc(-c3cc(N4CCO[C@H](CNS(C)(=O)=O)C4)ncn3)n2n1.FC(F)c1ccc2ncc(-c3cc(N4CCCC(Cn5ccnn5)C4)ncn3)n2n1.FC(F)c1ccc2ncc(-c3cc(N4CCCC(Cn5cncn5)C4)ncn3)n2n1
InChIInChI=1S/2C19H19F2N9.C19H23F2N7O3S.C18H19F4N7O3S.C18H21F2N7O3S.C17H21N7O3S/c20-19(21)14-3-4-17-22-9-16(30(17)26-14)15-8-18(24-12-23-15)28-6-1-2-13(10-28)11-29-7-5-25-27-29;20-19(21)14-3-4-17-23-7-16(30(17)27-14)15-6-18(25-11-24-15)28-5-1-2-13(8-28)9-29-12-22-10-26-29;1-11-9-27(12(2)16(31-11)8-25-32(3,29)30)18-6-14(23-10-24-18)15-7-22-17-5-4-13(19(20)21)26-28(15)17;1-10-14(7-26-33(2,30)31)32-18(21,22)8-28(10)16-5-12(24-9-25-16)13-6-23-15-4-3-11(17(19)20)27-29(13)15;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;1-12-3-4-16-18-9-15(24(16)22-12)14-7-17(20-11-19-14)23-5-6-27-13(10-23)8-21-28(2,25)26/h3-5,7-9,12-13,19H,1-2,6,10-11H2;3-4,6-7,10-13,19H,1-2,5,8-9H2;4-7,10-12,16,19,25H,8-9H2,1-3H3;3-6,9-10,14,17,26H,7-8H2,1-2H3;3-5,7,10-12,18,24H,6,8-9H2,1-2H3;3-4,7,9,11,13,21H,5-6,8,10H2,1-2H3/t;;11-,12?,16-;;11-,12+;13-/m..0.01/s1
InChIKeyHPUZKAUCFPFJMY-MXZKNMSHSA-N
XLogP10.29
TPSA638.28 Ų
H-Bond Donors4
H-Bond Acceptors54
Rotatable Bonds33
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002636.74
LogP ≤ 510.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1054

Analyze N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

3-methyl-N-(1-methylsulfonylpiperidin-4-yl)-6-[6-morpholin-4-yl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 118067813
N-[(1R)-1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
CID 139343270
N-[1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
CID 139343271
N-[(1R)-1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
CID 139343274
N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide
CID 139343352
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide
CID 139343355
N-[[(2S,5R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide
CID 139343405
N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide
CID 139343949
N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide
CID 139357841
N-[(1S)-1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
CID 139358590
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methyl]methanesulfonamide
CID 139359311
N-[[(2R,3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide
CID 139359354

Frequently Asked Questions

What is the IUPAC name of N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide (CID 158551886) is N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide is CC1C(CNS(C)(=O)=O)OC(F)(F)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1[C@H](CNS(C)(=O)=O)O[C@@H](C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@@H](CNS(C)(=O)=O)O1.Cc1ccc2ncc(-c3cc(N4CCO[C@H](CNS(C)(=O)=O)C4)ncn3)n2n1.FC(F)c1ccc2ncc(-c3cc(N4CCCC(Cn5ccnn5)C4)ncn3)n2n1.FC(F)c1ccc2ncc(-c3cc(N4CCCC(Cn5cncn5)C4)ncn3)n2n1.
What is the InChIKey of N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
The InChIKey is HPUZKAUCFPFJMY-MXZKNMSHSA-N. The full InChI is InChI=1S/2C19H19F2N9.C19H23F2N7O3S.C18H19F4N7O3S.C18H21F2N7O3S.C17H21N7O3S/c20-19(21)14-3-4-17-22-9-16(30(17)26-14)15-8-18(24-12-23-15)28-6-1-2-13(10-28)11-29-7-5-25-27-29;20-19(21)14-3-4-17-23-7-16(30(17)27-14)15-6-18(25-11-24-15)28-5-1-2-13(8-28)9-29-12-22-10-26-29;1-11-9-27(12(2)16(31-11)8-25-32(3,29)30)18-6-14(23-10-24-18)15-7-22-17-5-4-13(19(20)21)26-28(15)17;1-10-14(7-26-33(2,30)31)32-18(21,22)8-28(10)16-5-12(24-9-25-16)13-6-23-15-4-3-11(17(19)20)27-29(13)15;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;1-12-3-4-16-18-9-15(24(16)22-12)14-7-17(20-11-19-14)23-5-6-27-13(10-23)8-21-28(2,25)26/h3-5,7-9,12-13,19H,1-2,6,10-11H2;3-4,6-7,10-13,19H,1-2,5,8-9H2;4-7,10-12,16,19,25H,8-9H2,1-3H3;3-6,9-10,14,17,26H,7-8H2,1-2H3;3-5,7,10-12,18,24H,6,8-9H2,1-2H3;3-4,7,9,11,13,21H,5-6,8,10H2,1-2H3/t;;11-,12?,16-;;11-,12+;13-/m..0.01/s1.
What are the key properties of N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide has a molecular weight of 2636.74 g/mol, XLogP of 10.29, 33 rotatable bonds, 4 hydrogen bond donors, and 54 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]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 158551886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).