N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine

C116H137F13N42O12S5 — CID 157245380

IUPACN-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
SMILESCC1C(CNS(C)(=O)=O)OC(C)(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C(C)C(CNS(C)(=O)=O)=C1F.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CC(N)=O.CS(=O)(=O)CCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.C[C@H]1[C@@H](CNS(C)(=O)=O)OC(C)(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.[H]N=S(C)(=O)CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1C
InChIInChI=1S/C20H22F3N7O2S.2C20H25F2N7O3S.C19H23F2N7OS.C19H22F2N6O2S.C18H20F2N8O/c1-11-9-29(12(2)13(19(11)21)7-27-33(3,31)32)18-6-15(25-10-26-18)16-8-24-17-5-4-14(20(22)23)28-30(16)17;2*1-12-16(9-26-33(4,30)31)32-20(2,3)10-28(12)18-7-14(24-11-25-18)15-8-23-17-6-5-13(19(21)22)27-29(15)17;1-12-13(10-30(2,22)29)4-3-7-27(12)18-8-15(24-11-25-18)16-9-23-17-6-5-14(19(20)21)26-28(16)17;1-30(28,29)8-6-13-3-2-7-26(11-13)18-9-15(23-12-24-18)16-10-22-17-5-4-14(19(20)21)25-27(16)17;1-26-4-5-27(9-11(26)6-15(21)29)17-7-13(23-10-24-17)14-8-22-16-3-2-12(18(19)20)25-28(14)16/h4-6,8,10-12,20,27H,7,9H2,1-3H3;2*5-8,11-12,16,19,26H,9-10H2,1-4H3;5-6,8-9,11-13,19,22H,3-4,7,10H2,1-2H3;4-5,9-10,12-13,19H,2-3,6-8,11H2,1H3;2-3,7-8,10-11,18H,4-6,9H2,1H3,(H2,21,29)/t;12-,16+;;;;/m.0..../s1
InChIKeyAVRUCYTVXJMVRZ-LTKXBJHTSA-N
MW2718.96 g/mol
LogP14.13
Rot. Bonds34

About N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine

N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine (PubChem CID 157245380) has the molecular formula C116H137F13N42O12S5 and a molecular weight of 2718.96 g/mol. Its IUPAC name is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound NameN-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
PubChem CID157245380
Molecular FormulaC116H137F13N42O12S5
Molecular Weight2718.96 g/mol
Exact Mass2716.98
IUPAC NameN-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
SMILESCC1C(CNS(C)(=O)=O)OC(C)(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C(C)C(CNS(C)(=O)=O)=C1F.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CC(N)=O.CS(=O)(=O)CCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.C[C@H]1[C@@H](CNS(C)(=O)=O)OC(C)(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.[H]N=S(C)(=O)CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1C
InChIInChI=1S/C20H22F3N7O2S.2C20H25F2N7O3S.C19H23F2N7OS.C19H22F2N6O2S.C18H20F2N8O/c1-11-9-29(12(2)13(19(11)21)7-27-33(3,31)32)18-6-15(25-10-26-18)16-8-24-17-5-4-14(20(22)23)28-30(16)17;2*1-12-16(9-26-33(4,30)31)32-20(2,3)10-28(12)18-7-14(24-11-25-18)15-8-23-17-6-5-13(19(21)22)27-29(15)17;1-12-13(10-30(2,22)29)4-3-7-27(12)18-8-15(24-11-25-18)16-9-23-17-6-5-14(19(20)21)26-28(16)17;1-30(28,29)8-6-13-3-2-7-26(11-13)18-9-15(23-12-24-18)16-10-22-17-5-4-14(19(20)21)25-27(16)17;1-26-4-5-27(9-11(26)6-15(21)29)17-7-13(23-10-24-17)14-8-22-16-3-2-12(18(19)20)25-28(14)16/h4-6,8,10-12,20,27H,7,9H2,1-3H3;2*5-8,11-12,16,19,26H,9-10H2,1-4H3;5-6,8-9,11-13,19,22H,3-4,7,10H2,1-2H3;4-5,9-10,12-13,19H,2-3,6-8,11H2,1H3;2-3,7-8,10-11,18H,4-6,9H2,1H3,(H2,21,29)/t;12-,16+;;;;/m.0..../s1
InChIKeyAVRUCYTVXJMVRZ-LTKXBJHTSA-N
XLogP14.13
TPSA633.62 Ų
H-Bond Donors5
H-Bond Acceptors50
Rotatable Bonds34
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002718.96
LogP ≤ 514.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1050

Analyze N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine (CID 157245380) is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine is CC1C(CNS(C)(=O)=O)OC(C)(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C(C)C(CNS(C)(=O)=O)=C1F.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CC(N)=O.CS(=O)(=O)CCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.C[C@H]1[C@@H](CNS(C)(=O)=O)OC(C)(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.[H]N=S(C)(=O)CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1C.
What is the InChIKey of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?
The InChIKey is AVRUCYTVXJMVRZ-LTKXBJHTSA-N. The full InChI is InChI=1S/C20H22F3N7O2S.2C20H25F2N7O3S.C19H23F2N7OS.C19H22F2N6O2S.C18H20F2N8O/c1-11-9-29(12(2)13(19(11)21)7-27-33(3,31)32)18-6-15(25-10-26-18)16-8-24-17-5-4-14(20(22)23)28-30(16)17;2*1-12-16(9-26-33(4,30)31)32-20(2,3)10-28(12)18-7-14(24-11-25-18)15-8-23-17-6-5-13(19(21)22)27-29(15)17;1-12-13(10-30(2,22)29)4-3-7-27(12)18-8-15(24-11-25-18)16-9-23-17-6-5-14(19(20)21)26-28(16)17;1-30(28,29)8-6-13-3-2-7-26(11-13)18-9-15(23-12-24-18)16-10-22-17-5-4-14(19(20)21)25-27(16)17;1-26-4-5-27(9-11(26)6-15(21)29)17-7-13(23-10-24-17)14-8-22-16-3-2-12(18(19)20)25-28(14)16/h4-6,8,10-12,20,27H,7,9H2,1-3H3;2*5-8,11-12,16,19,26H,9-10H2,1-4H3;5-6,8-9,11-13,19,22H,3-4,7,10H2,1-2H3;4-5,9-10,12-13,19H,2-3,6-8,11H2,1H3;2-3,7-8,10-11,18H,4-6,9H2,1H3,(H2,21,29)/t;12-,16+;;;;/m.0..../s1.
What are the key properties of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine has a molecular weight of 2718.96 g/mol, XLogP of 14.13, 34 rotatable bonds, 5 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3,6-dimethyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;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;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(2-methylsulfonylethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157245380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).