N-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide

C78H88F10N26O7S3 — CID 158402904

IUPACN-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide
SMILESCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC(CNS(C)(=O)=O)C1(F)F.CS(=O)(=O)NCC1CCCC(c2cc(-c3cnc4ccc(C(F)F)nn34)cc(CN)n2)N1.CS(=O)(=O)NCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CCN1C1COC1.FC(F)c1ccc2ncc(-c3ccnc(N4CC5(CNC5)C4)c3)n2n1
InChIInChI=1S/C21H25F2N7O3S.C20H22F4N6O2S.C20H25F2N7O2S.C17H16F2N6/c1-34(31,32)26-9-15-11-28(6-7-29(15)16-12-33-13-16)20-8-14(4-5-24-20)18-10-25-19-3-2-17(21(22)23)27-30(18)19;1-12-10-29(11-14(20(12,23)24)8-27-33(2,31)32)18-7-13(5-6-25-18)16-9-26-17-4-3-15(19(21)22)28-30(16)17;1-32(30,31)25-10-13-3-2-4-15(26-13)17-8-12(7-14(9-23)27-17)18-11-24-19-6-5-16(20(21)22)28-29(18)19;18-16(19)12-1-2-14-22-6-13(25(14)23-12)11-3-4-21-15(5-11)24-9-17(10-24)7-20-8-17/h2-5,8,10,15-16,21,26H,6-7,9,11-13H2,1H3;3-7,9,12,14,19,27H,8,10-11H2,1-2H3;5-8,11,13,15,20,25-26H,2-4,9-10,23H2,1H3;1-6,16,20H,7-10H2
InChIKeyGYHZIPJMBPNLJN-UHFFFAOYSA-N
MW1787.92 g/mol
LogP8.21
Rot. Bonds23

About N-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide

N-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide (PubChem CID 158402904) has the molecular formula C78H88F10N26O7S3 and a molecular weight of 1787.92 g/mol. Its IUPAC name is N-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide
PubChem CID158402904
Molecular FormulaC78H88F10N26O7S3
Molecular Weight1787.92 g/mol
Exact Mass1786.63
IUPAC NameN-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide
SMILESCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC(CNS(C)(=O)=O)C1(F)F.CS(=O)(=O)NCC1CCCC(c2cc(-c3cnc4ccc(C(F)F)nn34)cc(CN)n2)N1.CS(=O)(=O)NCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CCN1C1COC1.FC(F)c1ccc2ncc(-c3ccnc(N4CC5(CNC5)C4)c3)n2n1
InChIInChI=1S/C21H25F2N7O3S.C20H22F4N6O2S.C20H25F2N7O2S.C17H16F2N6/c1-34(31,32)26-9-15-11-28(6-7-29(15)16-12-33-13-16)20-8-14(4-5-24-20)18-10-25-19-3-2-17(21(22)23)27-30(18)19;1-12-10-29(11-14(20(12,23)24)8-27-33(2,31)32)18-7-13(5-6-25-18)16-9-26-17-4-3-15(19(21)22)28-30(16)17;1-32(30,31)25-10-13-3-2-4-15(26-13)17-8-12(7-14(9-23)27-17)18-11-24-19-6-5-16(20(21)22)28-29(18)19;18-16(19)12-1-2-14-22-6-13(25(14)23-12)11-3-4-21-15(5-11)24-9-17(10-24)7-20-8-17/h2-5,8,10,15-16,21,26H,6-7,9,11-13H2,1H3;3-7,9,12,14,19,27H,8,10-11H2,1-2H3;5-8,11,13,15,20,25-26H,2-4,9-10,23H2,1H3;1-6,16,20H,7-10H2
InChIKeyGYHZIPJMBPNLJN-UHFFFAOYSA-N
XLogP8.21
TPSA383.10 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds23
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001787.92
LogP ≤ 58.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze N-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

methyl N-[5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]carbamate
CID 157177687
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-ethyl-3-[5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]urea;methanesulfonic acid;methyl methanesulfonate;methyl N-[5-[4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]carbamate;methyl N-[5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]carbamate
CID 157398823
2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 157865912
[1-tert-butyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methanol;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-(1-methylpyrazol-4-yl)methanone;6-(difluoromethyl)-3-[6-methyl-5-(7-methylsulfonyl-1,7-diazaspiro[3.5]nonan-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[5-(7-methylsulfonyl-1,7-diazaspiro[3.5]nonan-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine
CID 157989073
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;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 158034092
4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-[4-(oxetan-3-yl)piperazin-1-yl]-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 158060684
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile
CID 158071083
2-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-5-hydroxypiperidin-3-yl]methyl]methanesulfonamide);8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;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 158169558
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methoxypiperidin-3-yl]methyl]methanesulfonamide;3-[2-[3-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine;N-[[(5S)-5-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide
CID 158419229
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
2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 158575978

Frequently Asked Questions

What is the IUPAC name of N-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide (CID 158402904) is N-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide is CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC(CNS(C)(=O)=O)C1(F)F.CS(=O)(=O)NCC1CCCC(c2cc(-c3cnc4ccc(C(F)F)nn34)cc(CN)n2)N1.CS(=O)(=O)NCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CCN1C1COC1.FC(F)c1ccc2ncc(-c3ccnc(N4CC5(CNC5)C4)c3)n2n1.
What is the InChIKey of N-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide?
The InChIKey is GYHZIPJMBPNLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N7O3S.C20H22F4N6O2S.C20H25F2N7O2S.C17H16F2N6/c1-34(31,32)26-9-15-11-28(6-7-29(15)16-12-33-13-16)20-8-14(4-5-24-20)18-10-25-19-3-2-17(21(22)23)27-30(18)19;1-12-10-29(11-14(20(12,23)24)8-27-33(2,31)32)18-7-13(5-6-25-18)16-9-26-17-4-3-15(19(21)22)28-30(16)17;1-32(30,31)25-10-13-3-2-4-15(26-13)17-8-12(7-14(9-23)27-17)18-11-24-19-6-5-16(20(21)22)28-29(18)19;18-16(19)12-1-2-14-22-6-13(25(14)23-12)11-3-4-21-15(5-11)24-9-17(10-24)7-20-8-17/h2-5,8,10,15-16,21,26H,6-7,9,11-13H2,1H3;3-7,9,12,14,19,27H,8,10-11H2,1-2H3;5-8,11,13,15,20,25-26H,2-4,9-10,23H2,1H3;1-6,16,20H,7-10H2.
What are the key properties of N-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide?
N-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide has a molecular weight of 1787.92 g/mol, XLogP of 8.21, 23 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[6-(aminomethyl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-2-yl]methyl]methanesulfonamide;3-[2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)piperazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 158402904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).