N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane

C86H99F12N27O9S4 — CID 161391575

IUPACN-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane
SMILESCC(=O)N1CC2(C1)CN(c1cc(-c3cnc4ccc(C(F)F)nn34)cc(N3CCCC(CNS(C)(=O)=O)C3)n1)C2.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC(CNS(C)(=O)=O)C1(F)F.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC(CNS(C)(=O)=O)C1(F)F.CS(=O)(=O)N1CCC2(CCCN(c3cc(-c4cnc5ccc(C(F)F)nn45)ncn3)C2)C1
InChIInChI=1S/C26H32F2N8O3S.2C20H22F4N6O2S.C20H23F2N7O2S/c1-17(37)34-13-26(14-34)15-35(16-26)24-9-19(21-11-29-22-6-5-20(25(27)28)32-36(21)22)8-23(31-24)33-7-3-4-18(12-33)10-30-40(2,38)39;2*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)28-8-6-20(12-28)5-2-7-27(11-20)18-9-15(24-13-25-18)16-10-23-17-4-3-14(19(21)22)26-29(16)17/h5-6,8-9,11,18,25,30H,3-4,7,10,12-16H2,1-2H3;2*3-7,9,12,14,19,27H,8,10-11H2,1-2H3;3-4,9-10,13,19H,2,5-8,11-12H2,1H3
InChIKeyVTBCTRMMVCVIPW-UHFFFAOYSA-N
MW2011.16 g/mol
LogP10.51
Rot. Bonds23

About N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane

N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane (PubChem CID 161391575) has the molecular formula C86H99F12N27O9S4 and a molecular weight of 2011.16 g/mol. Its IUPAC name is N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound NameN-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane
PubChem CID161391575
Molecular FormulaC86H99F12N27O9S4
Molecular Weight2011.16 g/mol
Exact Mass2009.68
IUPAC NameN-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane
SMILESCC(=O)N1CC2(C1)CN(c1cc(-c3cnc4ccc(C(F)F)nn34)cc(N3CCCC(CNS(C)(=O)=O)C3)n1)C2.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC(CNS(C)(=O)=O)C1(F)F.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC(CNS(C)(=O)=O)C1(F)F.CS(=O)(=O)N1CCC2(CCCN(c3cc(-c4cnc5ccc(C(F)F)nn45)ncn3)C2)C1
InChIInChI=1S/C26H32F2N8O3S.2C20H22F4N6O2S.C20H23F2N7O2S/c1-17(37)34-13-26(14-34)15-35(16-26)24-9-19(21-11-29-22-6-5-20(25(27)28)32-36(21)22)8-23(31-24)33-7-3-4-18(12-33)10-30-40(2,38)39;2*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)28-8-6-20(12-28)5-2-7-27(11-20)18-9-15(24-13-25-18)16-10-23-17-4-3-14(19(21)22)26-29(16)17/h5-6,8-9,11,18,25,30H,3-4,7,10,12-16H2,1-2H3;2*3-7,9,12,14,19,27H,8,10-11H2,1-2H3;3-4,9-10,13,19H,2,5-8,11-12H2,1H3
InChIKeyVTBCTRMMVCVIPW-UHFFFAOYSA-N
XLogP10.51
TPSA397.61 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002011.16
LogP ≤ 510.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Analyze N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 139343465
N-[[1-[6-(4-acetylpiperazin-1-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 139357574
(3S,4R)-3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3R,4S)-3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 157110987
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
N-[(1R)-1-[(2S,3S)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;3-[2-[(3R)-4-cyclopropyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-[(1-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157355046
N-[(1R)-1-[(2S,3S)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[(1S)-1-[(3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;3-[2-[(3R)-4-cyclopropyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-[(1-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157355047
cyclopropyl-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(3,3-difluorocyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;N-[(1S)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
CID 157421507
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
2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrazol-1-yl]-1-(1,1-difluoroethylsulfonyl)azetidin-3-yl]acetonitrile;N-[5-[1-[3-(cyanomethyl)-1-cyclopropylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(cyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclobutanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-3-methylcyclobutane-1-carboxamide
CID 157864585
Bis([1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane);[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;2,5-dimethyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;2,5-dimethyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 157873458
3-[4-[3-(azetidin-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[5-dimethylphosphoryl-2-methyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[2,2-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;3-[4-(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[6-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 157908652
3-[6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]propan-2-amine;N-[[4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide;molecular hydrogen
CID 157917838

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane (CID 161391575) is N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane is CC(=O)N1CC2(C1)CN(c1cc(-c3cnc4ccc(C(F)F)nn34)cc(N3CCCC(CNS(C)(=O)=O)C3)n1)C2.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC(CNS(C)(=O)=O)C1(F)F.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC(CNS(C)(=O)=O)C1(F)F.CS(=O)(=O)N1CCC2(CCCN(c3cc(-c4cnc5ccc(C(F)F)nn45)ncn3)C2)C1.
What is the InChIKey of N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane?
The InChIKey is VTBCTRMMVCVIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N8O3S.2C20H22F4N6O2S.C20H23F2N7O2S/c1-17(37)34-13-26(14-34)15-35(16-26)24-9-19(21-11-29-22-6-5-20(25(27)28)32-36(21)22)8-23(31-24)33-7-3-4-18(12-33)10-30-40(2,38)39;2*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)28-8-6-20(12-28)5-2-7-27(11-20)18-9-15(24-13-25-18)16-10-23-17-4-3-14(19(21)22)26-29(16)17/h5-6,8-9,11,18,25,30H,3-4,7,10,12-16H2,1-2H3;2*3-7,9,12,14,19,27H,8,10-11H2,1-2H3;3-4,9-10,13,19H,2,5-8,11-12H2,1H3.
What are the key properties of N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane?
N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane has a molecular weight of 2011.16 g/mol, XLogP of 10.51, 23 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 161391575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).