dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane

C82H115N21O10S5 — CID 157207216

IUPACdimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cccn2C)c1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccn(C)n2)c1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(C2=CCN=C2)c1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(C2=NCC=C2)c1.Cc1cccn1-c1cc(N2CCOC[C@H]2C)cc(N=S(C)(C)=O)n1
InChIInChI=1S/2C17H24N4O2S.C16H23N5O2S.2C16H22N4O2S/c1-13-12-23-9-8-21(13)14-10-15(16-6-5-7-20(16)2)18-17(11-14)19-24(3,4)22;1-13-6-5-7-21(13)17-11-15(20-8-9-23-12-14(20)2)10-16(18-17)19-24(3,4)22;1-12-11-23-8-7-21(12)13-9-15(14-5-6-20(2)18-14)17-16(10-13)19-24(3,4)22;1-12-11-22-7-6-20(12)14-8-15(13-4-5-17-10-13)18-16(9-14)19-23(2,3)21;1-12-11-22-8-7-20(12)13-9-15(14-5-4-6-17-14)18-16(10-13)19-23(2,3)21/h5-7,10-11,13H,8-9,12H2,1-4H3;5-7,10-11,14H,8-9,12H2,1-4H3;5-6,9-10,12H,7-8,11H2,1-4H3;4,8-10,12H,5-7,11H2,1-3H3;4-5,9-10,12H,6-8,11H2,1-3H3/t13-;14-;3*12-/m11111/s1
InChIKeyARMLLIBGMINBBA-NOQOZAKXSA-N
MW1715.29 g/mol
LogP11.66
Rot. Bonds15

About dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane

dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane (PubChem CID 157207216) has the molecular formula C82H115N21O10S5 and a molecular weight of 1715.29 g/mol. Its IUPAC name is dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane.

Molecular Properties

Compound Namedimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane
PubChem CID157207216
Molecular FormulaC82H115N21O10S5
Molecular Weight1715.29 g/mol
Exact Mass1713.77
IUPAC Namedimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cccn2C)c1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccn(C)n2)c1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(C2=CCN=C2)c1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(C2=NCC=C2)c1.Cc1cccn1-c1cc(N2CCOC[C@H]2C)cc(N=S(C)(C)=O)n1
InChIInChI=1S/2C17H24N4O2S.C16H23N5O2S.2C16H22N4O2S/c1-13-12-23-9-8-21(13)14-10-15(16-6-5-7-20(16)2)18-17(11-14)19-24(3,4)22;1-13-6-5-7-21(13)17-11-15(20-8-9-23-12-14(20)2)10-16(18-17)19-24(3,4)22;1-12-11-23-8-7-21(12)13-9-15(14-5-6-20(2)18-14)17-16(10-13)19-24(3,4)22;1-12-11-22-7-6-20(12)14-8-15(13-4-5-17-10-13)18-16(9-14)19-23(2,3)21;1-12-11-22-8-7-20(12)13-9-15(14-5-4-6-17-14)18-16(10-13)19-23(2,3)21/h5-7,10-11,13H,8-9,12H2,1-4H3;5-7,10-11,14H,8-9,12H2,1-4H3;5-6,9-10,12H,7-8,11H2,1-4H3;4,8-10,12H,5-7,11H2,1-3H3;4-5,9-10,12H,6-8,11H2,1-3H3/t13-;14-;3*12-/m11111/s1
InChIKeyARMLLIBGMINBBA-NOQOZAKXSA-N
XLogP11.66
TPSA326.35 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds15
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001715.29
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane with MolForge

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Launch Full Analysis

Related Compounds

[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-lambda6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-lambda6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
CID 157541774
4-[[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino]-1,4-oxathiane 4-oxide;dimethyl-[[6-(1-methylimidazol-2-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino]-oxo-lambda6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-4-yl)-2-pyridinyl]imino]-oxo-lambda6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-lambda6-sulfane;[6-(6-fluoro-1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-lambda6-sulfane
CID 157714283
[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-lambda6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-lambda6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
CID 158415518
dimethyl-[2-(2-methylindolizin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-lambda6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-lambda6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-lambda6-sulfane
CID 158748344
[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-lambda6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-lambda6-sulfane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
CID 159674685
[2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-lambda6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-lambda6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-lambda6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-lambda6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-lambda6-sulfane
CID 159964601
dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-lambda6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-lambda6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-lambda6-sulfane;methane
CID 161436680
dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-lambda6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methyl-3H-pyrrol-1-ium-2-yl)pyrimidin-4-yl]imino-oxo-lambda6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-lambda6-sulfane;methane
CID 162133679
dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-lambda6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-lambda6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-lambda6-sulfane
CID 167677868

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane?
The IUPAC name of dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane (CID 157207216) is dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane.
What is the SMILES notation for dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane?
The canonical SMILES for dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane is C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cccn2C)c1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccn(C)n2)c1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(C2=CCN=C2)c1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(C2=NCC=C2)c1.Cc1cccn1-c1cc(N2CCOC[C@H]2C)cc(N=S(C)(C)=O)n1.
What is the InChIKey of dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane?
The InChIKey is ARMLLIBGMINBBA-NOQOZAKXSA-N. The full InChI is InChI=1S/2C17H24N4O2S.C16H23N5O2S.2C16H22N4O2S/c1-13-12-23-9-8-21(13)14-10-15(16-6-5-7-20(16)2)18-17(11-14)19-24(3,4)22;1-13-6-5-7-21(13)17-11-15(20-8-9-23-12-14(20)2)10-16(18-17)19-24(3,4)22;1-12-11-23-8-7-21(12)13-9-15(14-5-6-20(2)18-14)17-16(10-13)19-24(3,4)22;1-12-11-22-7-6-20(12)14-8-15(13-4-5-17-10-13)18-16(9-14)19-23(2,3)21;1-12-11-22-8-7-20(12)13-9-15(14-5-4-6-17-14)18-16(10-13)19-23(2,3)21/h5-7,10-11,13H,8-9,12H2,1-4H3;5-7,10-11,14H,8-9,12H2,1-4H3;5-6,9-10,12H,7-8,11H2,1-4H3;4,8-10,12H,5-7,11H2,1-3H3;4-5,9-10,12H,6-8,11H2,1-3H3/t13-;14-;3*12-/m11111/s1.
What are the key properties of dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane?
dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane has a molecular weight of 1715.29 g/mol, XLogP of 11.66, 15 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrazol-3-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylpyrrol-2-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylpyrrol-1-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane;dimethyl-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(2H-pyrrol-5-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane is sourced from PubChem (CID 157207216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).