dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine

C103H106F15N39O5S — CID 158621616

IUPACdimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCC1CC(N=S(C)(C)=O)CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1.Cc1nn(C)cc1C1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@@H](C)O1.Cc1nn(C)cc1[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@H](C)O1.Cc1nn(C)cc1[C@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@@H](C)O1.Cc1nn(C)cc1[C@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@H](C)O1
InChIInChI=1S/4C21H21F3N8O.C19H22F3N7OS/c4*1-12-8-31(10-17(33-12)14-9-30(3)28-13(14)2)20-6-15(26-11-27-20)16-7-25-19-5-4-18(21(22,23)24)29-32(16)19;1-12-6-13(27-31(2,3)30)10-28(9-12)18-7-14(24-11-25-18)15-8-23-17-5-4-16(19(20,21)22)26-29(15)17/h4*4-7,9,11-12,17H,8,10H2,1-3H3;4-5,7-8,11-13H,6,9-10H2,1-3H3/t12-,17?;12-,17+;2*12-,17-;/m1010./s1
InChIKeyHYBKNCOKGLPNPL-KNMNBVSOSA-N
MW2287.29 g/mol
LogP16.00
Rot. Bonds15

About dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine

dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 158621616) has the molecular formula C103H106F15N39O5S and a molecular weight of 2287.29 g/mol. Its IUPAC name is dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Namedimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
PubChem CID158621616
Molecular FormulaC103H106F15N39O5S
Molecular Weight2287.29 g/mol
Exact Mass2285.87
IUPAC Namedimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCC1CC(N=S(C)(C)=O)CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1.Cc1nn(C)cc1C1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@@H](C)O1.Cc1nn(C)cc1[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@H](C)O1.Cc1nn(C)cc1[C@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@@H](C)O1.Cc1nn(C)cc1[C@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@H](C)O1
InChIInChI=1S/4C21H21F3N8O.C19H22F3N7OS/c4*1-12-8-31(10-17(33-12)14-9-30(3)28-13(14)2)20-6-15(26-11-27-20)16-7-25-19-5-4-18(21(22,23)24)29-32(16)19;1-12-6-13(27-31(2,3)30)10-28(9-12)18-7-14(24-11-25-18)15-8-23-17-5-4-16(19(20,21)22)26-29(15)17/h4*4-7,9,11-12,17H,8,10H2,1-3H3;4-5,7-8,11-13H,6,9-10H2,1-3H3/t12-,17?;12-,17+;2*12-,17-;/m1010./s1
InChIKeyHYBKNCOKGLPNPL-KNMNBVSOSA-N
XLogP16.00
TPSA433.68 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds15
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002287.29
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
CID 139343516
(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
CID 139343547
(2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
CID 139343549
(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
CID 139343873
(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
CID 156678140
2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 156692591
4-[6-[6-(Difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[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;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 157125171
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
(2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;3-[4-[(2S,3R)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157326717
[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
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
N-[[(3S,5S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;[(3S,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine
CID 157473529

Frequently Asked Questions

What is the IUPAC name of dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine (CID 158621616) is dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine is CC1CC(N=S(C)(C)=O)CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1.Cc1nn(C)cc1C1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@@H](C)O1.Cc1nn(C)cc1[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@H](C)O1.Cc1nn(C)cc1[C@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@@H](C)O1.Cc1nn(C)cc1[C@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@H](C)O1.
What is the InChIKey of dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is HYBKNCOKGLPNPL-KNMNBVSOSA-N. The full InChI is InChI=1S/4C21H21F3N8O.C19H22F3N7OS/c4*1-12-8-31(10-17(33-12)14-9-30(3)28-13(14)2)20-6-15(26-11-27-20)16-7-25-19-5-4-18(21(22,23)24)29-32(16)19;1-12-6-13(27-31(2,3)30)10-28(9-12)18-7-14(24-11-25-18)15-8-23-17-5-4-16(19(20,21)22)26-29(15)17/h4*4-7,9,11-12,17H,8,10H2,1-3H3;4-5,7-8,11-13H,6,9-10H2,1-3H3/t12-,17?;12-,17+;2*12-,17-;/m1010./s1.
What are the key properties of dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?
dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 2287.29 g/mol, XLogP of 16.00, 15 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 158621616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).