dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine

C109H107F15N34O8S2 — CID 161154457

IUPACdimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
SMILESCc1[nH]ncc1[C@H]1C[C@@H](N=S(C)(C)=O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.Cc1[nH]ncc1[C@H]1C[C@H](N=S(C)(C)=O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.Cc1oncc1[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.Cc1oncc1[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)O1.Cc1oncc1[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)O1
InChIInChI=1S/2C23H25F3N8OS.3C21H19F3N6O2/c2*1-14-18(9-29-31-14)15-8-17(32-36(2,3)35)13-33(11-15)21-6-7-27-22(30-21)19-10-28-20-5-4-16(12-34(19)20)23(24,25)26;3*1-12-9-29(11-17(31-12)15-7-27-32-13(15)2)19-5-6-25-20(28-19)16-8-26-18-4-3-14(10-30(16)18)21(22,23)24/h2*4-7,9-10,12,15,17H,8,11,13H2,1-3H3,(H,29,31);3*3-8,10,12,17H,9,11H2,1-2H3/t15-,17+;15-,17-;2*12-,17+;12-,17-/m00100/s1
InChIKeyUPCMSTZBXCCRLG-SHNAONFDSA-N
MW2370.39 g/mol
LogP20.08
Rot. Bonds17

About dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine

dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 161154457) has the molecular formula C109H107F15N34O8S2 and a molecular weight of 2370.39 g/mol. Its IUPAC name is dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Namedimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
PubChem CID161154457
Molecular FormulaC109H107F15N34O8S2
Molecular Weight2370.39 g/mol
Exact Mass2368.82
IUPAC Namedimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
SMILESCc1[nH]ncc1[C@H]1C[C@@H](N=S(C)(C)=O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.Cc1[nH]ncc1[C@H]1C[C@H](N=S(C)(C)=O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.Cc1oncc1[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.Cc1oncc1[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)O1.Cc1oncc1[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)O1
InChIInChI=1S/2C23H25F3N8OS.3C21H19F3N6O2/c2*1-14-18(9-29-31-14)15-8-17(32-36(2,3)35)13-33(11-15)21-6-7-27-22(30-21)19-10-28-20-5-4-16(12-34(19)20)23(24,25)26;3*1-12-9-29(11-17(31-12)15-7-27-32-13(15)2)19-5-6-25-20(28-19)16-8-26-18-4-3-14(10-30(16)18)21(22,23)24/h2*4-7,9-10,12,15,17H,8,11,13H2,1-3H3,(H,29,31);3*3-8,10,12,17H,9,11H2,1-2H3/t15-,17+;15-,17-;2*12-,17+;12-,17-/m00100/s1
InChIKeyUPCMSTZBXCCRLG-SHNAONFDSA-N
XLogP20.08
TPSA453.60 Ų
H-Bond Donors2
H-Bond Acceptors40
Rotatable Bonds17
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002370.39
LogP ≤ 520.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1040

Analyze dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

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
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
N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[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-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158304071
(2R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;3-[4-[4-(1-ethoxycyclopropyl)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159659884
[(2R,3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;[(3S,5R)-1-[6-[6-(3-fluoroazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
CID 159776779
3-[2-[(3S,5S)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R,5S)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(3R,5S)-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 160371929
dimethyl-[(3S,5R)-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-lambda6-sulfane;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-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 161595966

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine (CID 161154457) is dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine is Cc1[nH]ncc1[C@H]1C[C@@H](N=S(C)(C)=O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.Cc1[nH]ncc1[C@H]1C[C@H](N=S(C)(C)=O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.Cc1oncc1[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.Cc1oncc1[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)O1.Cc1oncc1[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)O1.
What is the InChIKey of dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is UPCMSTZBXCCRLG-SHNAONFDSA-N. The full InChI is InChI=1S/2C23H25F3N8OS.3C21H19F3N6O2/c2*1-14-18(9-29-31-14)15-8-17(32-36(2,3)35)13-33(11-15)21-6-7-27-22(30-21)19-10-28-20-5-4-16(12-34(19)20)23(24,25)26;3*1-12-9-29(11-17(31-12)15-7-27-32-13(15)2)19-5-6-25-20(28-19)16-8-26-18-4-3-14(10-30(16)18)21(22,23)24/h2*4-7,9-10,12,15,17H,8,11,13H2,1-3H3,(H,29,31);3*3-8,10,12,17H,9,11H2,1-2H3/t15-,17+;15-,17-;2*12-,17+;12-,17-/m00100/s1.
What are the key properties of dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine?
dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 2370.39 g/mol, XLogP of 20.08, 17 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-λ6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 161154457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).