N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol

C78H89F8N25O7S3 — CID 158054111

IUPACN-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol
SMILESCC(C)(NS(C)(=O)=O)C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)C1.CC1(CNS(C)(=O)=O)CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)C1.CNc1cc(-c2cnc3ccc(C(F)F)nn23)cc(N2CCCC(CNS(C)(=O)=O)C2)n1.OCCn1cc(-c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)cn1
InChIInChI=1S/C21H26F2N6O2S.C20H25F2N7O2S.C20H24F2N6O2S.C17H14F2N6O/c1-21(2,27-32(3,30)31)15-5-4-10-28(13-15)19-11-14(8-9-24-19)17-12-25-18-7-6-16(20(22)23)26-29(17)18;1-23-17-8-14(16-11-24-18-6-5-15(20(21)22)27-29(16)18)9-19(26-17)28-7-3-4-13(12-28)10-25-32(2,30)31;1-20(12-25-31(2,29)30)7-3-9-27(13-20)18-10-14(6-8-23-18)16-11-24-17-5-4-15(19(21)22)26-28(16)17;18-17(19)13-1-2-16-21-9-15(25(16)23-13)11-3-4-20-14(7-11)12-8-22-24(10-12)5-6-26/h6-9,11-12,15,20,27H,4-5,10,13H2,1-3H3;5-6,8-9,11,13,20,25H,3-4,7,10,12H2,1-2H3,(H,23,26);4-6,8,10-11,19,25H,3,7,9,12-13H2,1-2H3;1-4,7-10,17,26H,5-6H2
InChIKeyFJVJLFHJABWWCV-UHFFFAOYSA-N
MW1736.92 g/mol
LogP11.28
Rot. Bonds24

About N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol

N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol (PubChem CID 158054111) has the molecular formula C78H89F8N25O7S3 and a molecular weight of 1736.92 g/mol. Its IUPAC name is N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound NameN-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol
PubChem CID158054111
Molecular FormulaC78H89F8N25O7S3
Molecular Weight1736.92 g/mol
Exact Mass1735.64
IUPAC NameN-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol
SMILESCC(C)(NS(C)(=O)=O)C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)C1.CC1(CNS(C)(=O)=O)CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)C1.CNc1cc(-c2cnc3ccc(C(F)F)nn23)cc(N2CCCC(CNS(C)(=O)=O)C2)n1.OCCn1cc(-c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)cn1
InChIInChI=1S/C21H26F2N6O2S.C20H25F2N7O2S.C20H24F2N6O2S.C17H14F2N6O/c1-21(2,27-32(3,30)31)15-5-4-10-28(13-15)19-11-14(8-9-24-19)17-12-25-18-7-6-16(20(22)23)26-29(17)18;1-23-17-8-14(16-11-24-18-6-5-15(20(21)22)27-29(16)18)9-19(26-17)28-7-3-4-13(12-28)10-25-32(2,30)31;1-20(12-25-31(2,29)30)7-3-9-27(13-20)18-10-14(6-8-23-18)16-11-24-17-5-4-15(19(21)22)26-28(16)17;18-17(19)13-1-2-16-21-9-15(25(16)23-13)11-3-4-20-14(7-11)12-8-22-24(10-12)5-6-26/h6-9,11-12,15,20,27H,4-5,10,13H2,1-3H3;5-6,8-9,11,13,20,25H,3-4,7,10,12H2,1-2H3,(H,23,26);4-6,8,10-11,19,25H,3,7,9,12-13H2,1-2H3;1-4,7-10,17,26H,5-6H2
InChIKeyFJVJLFHJABWWCV-UHFFFAOYSA-N
XLogP11.28
TPSA370.63 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001736.92
LogP ≤ 511.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

3-[3-[2-[[2-(2,2-difluoroethyl)pyrazol-3-yl]amino]-6-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-4-yl]-5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol
CID 155376547
N-[6-(2,4-difluorophenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propane-1-sulfonamide
CID 156047652
2-[2-hydroxyethyl-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol;2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 157051452
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 157314364
[1-[6-[6-(Difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-imino-1,4-thiazinane 1-oxide;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine
CID 157353946
2-[(2,2-dioxo-2lambda6-thia-7-azaspiro[4.4]nonan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine;N'-[2-[(2,2-dioxo-2lambda6-thia-7-azaspiro[4.4]nonan-7-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide
CID 157403696
N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);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-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 157433337
3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 157452934
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-isocyano-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;2-[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;(2R)-2-[[5-isocyano-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methylbutan-1-ol;5-isocyano-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-2-amine
CID 157582845
N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;bis(2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine);7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 157599418
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide;N-[(1S)-1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;(3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 157618405
bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxy-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine
CID 157628670

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol?
The IUPAC name of N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol (CID 158054111) is N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol?
The canonical SMILES for N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol is CC(C)(NS(C)(=O)=O)C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)C1.CC1(CNS(C)(=O)=O)CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)C1.CNc1cc(-c2cnc3ccc(C(F)F)nn23)cc(N2CCCC(CNS(C)(=O)=O)C2)n1.OCCn1cc(-c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)cn1.
What is the InChIKey of N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol?
The InChIKey is FJVJLFHJABWWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N6O2S.C20H25F2N7O2S.C20H24F2N6O2S.C17H14F2N6O/c1-21(2,27-32(3,30)31)15-5-4-10-28(13-15)19-11-14(8-9-24-19)17-12-25-18-7-6-16(20(22)23)26-29(17)18;1-23-17-8-14(16-11-24-18-6-5-15(20(21)22)27-29(16)18)9-19(26-17)28-7-3-4-13(12-28)10-25-32(2,30)31;1-20(12-25-31(2,29)30)7-3-9-27(13-20)18-10-14(6-8-23-18)16-11-24-17-5-4-15(19(21)22)26-28(16)17;18-17(19)13-1-2-16-21-9-15(25(16)23-13)11-3-4-20-14(7-11)12-8-22-24(10-12)5-6-26/h6-9,11-12,15,20,27H,4-5,10,13H2,1-3H3;5-6,8-9,11,13,20,25H,3-4,7,10,12H2,1-2H3,(H,23,26);4-6,8,10-11,19,25H,3,7,9,12-13H2,1-2H3;1-4,7-10,17,26H,5-6H2.
What are the key properties of N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol?
N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol has a molecular weight of 1736.92 g/mol, XLogP of 11.28, 24 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 158054111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).