2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide

C105H124FN25O15S5 — CID 158615812

IUPAC2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide
SMILESC[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-n2c(CF)nc3ccccc32)n1.C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-n2c(CO)nc3ccccc32)n1.C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-n2cnc3ccccc32)n1.[H]N=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2cc(OC)nc3c2C=CC3)n1.[H]N=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2cncc3c2C=CC3)n1
InChIInChI=1S/C22H27N5O3S.C21H24FN5O3S.C21H25N5O4S.C21H25N5O2S.C20H23N5O3S/c1-14-13-30-9-8-27(14)20-12-18(19-7-4-10-31(19,23)28)25-22(26-20)16-11-21(29-2)24-17-6-3-5-15(16)17;1-14-13-30-9-8-26(14)19-11-16(18-7-4-10-31(18,28)29)24-21(25-19)27-17-6-3-2-5-15(17)23-20(27)12-22;1-14-13-30-9-8-25(14)19-11-16(18-7-4-10-31(18,28)29)23-21(24-19)26-17-6-3-2-5-15(17)22-20(26)12-27;1-14-13-28-8-7-26(14)20-10-18(19-6-3-9-29(19,22)27)24-21(25-20)17-12-23-11-15-4-2-5-16(15)17;1-14-12-28-9-8-24(14)19-11-16(18-7-4-10-29(18,26)27)22-20(23-19)25-13-21-15-5-2-3-6-17(15)25/h3,5,11-12,14,19,23H,4,6-10,13H2,1-2H3;2-3,5-6,11,14,18H,4,7-10,12-13H2,1H3;2-3,5-6,11,14,18,27H,4,7-10,12-13H2,1H3;2,5,10-12,14,19,22H,3-4,6-9,13H2,1H3;2-3,5-6,11,13-14,18H,4,7-10,12H2,1H3/t14-,19?,31?;2*14-,18?;14-,19?,29?;14-,18?/m11111/s1
InChIKeyHXJIBJDCGONDCP-VCESTDHZSA-N
MW2155.64 g/mol
LogP13.27
Rot. Bonds18

About 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide

2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide (PubChem CID 158615812) has the molecular formula C105H124FN25O15S5 and a molecular weight of 2155.64 g/mol. Its IUPAC name is 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide.

Molecular Properties

Compound Name2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide
PubChem CID158615812
Molecular FormulaC105H124FN25O15S5
Molecular Weight2155.64 g/mol
Exact Mass2153.83
IUPAC Name2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide
SMILESC[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-n2c(CF)nc3ccccc32)n1.C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-n2c(CO)nc3ccccc32)n1.C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-n2cnc3ccccc32)n1.[H]N=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2cc(OC)nc3c2C=CC3)n1.[H]N=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2cncc3c2C=CC3)n1
InChIInChI=1S/C22H27N5O3S.C21H24FN5O3S.C21H25N5O4S.C21H25N5O2S.C20H23N5O3S/c1-14-13-30-9-8-27(14)20-12-18(19-7-4-10-31(19,23)28)25-22(26-20)16-11-21(29-2)24-17-6-3-5-15(16)17;1-14-13-30-9-8-26(14)19-11-16(18-7-4-10-31(18,28)29)24-21(25-19)27-17-6-3-2-5-15(17)23-20(27)12-22;1-14-13-30-9-8-25(14)19-11-16(18-7-4-10-31(18,28)29)23-21(24-19)26-17-6-3-2-5-15(17)22-20(26)12-27;1-14-13-28-8-7-26(14)20-10-18(19-6-3-9-29(19,22)27)24-21(25-20)17-12-23-11-15-4-2-5-16(15)17;1-14-12-28-9-8-24(14)19-11-16(18-7-4-10-29(18,26)27)22-20(23-19)25-13-21-15-5-2-3-6-17(15)25/h3,5,11-12,14,19,23H,4,6-10,13H2,1-2H3;2-3,5-6,11,14,18H,4,7-10,12-13H2,1H3;2-3,5-6,11,14,18,27H,4,7-10,12-13H2,1H3;2,5,10-12,14,19,22H,3-4,6-9,13H2,1H3;2-3,5-6,11,13-14,18H,4,7-10,12H2,1H3/t14-,19?,31?;2*14-,18?;14-,19?,29?;14-,18?/m11111/s1
InChIKeyHXJIBJDCGONDCP-VCESTDHZSA-N
XLogP13.27
TPSA484.21 Ų
H-Bond Donors3
H-Bond Acceptors40
Rotatable Bonds18
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002155.64
LogP ≤ 513.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1040

Analyze 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide with MolForge

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Related Compounds

6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;4-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[2,3-c]pyridine;2-[3-ethylsulfanyl-5-(2-methylprop-2-enoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol;5-ethylsulfanyl-4-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol;5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;methane;2-methylprop-2-en-1-ol
CID 159258684
CID 159403575
CID 159403575
2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide
CID 157207355
2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-methyl-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-methyl-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide
CID 157302562
[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-lambda6-sulfane;cyclopropyl-methyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-lambda6-sulfane;[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-(oxetan-3-yl)-oxo-lambda6-sulfane;[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-(oxetan-3-yl)-oxo-lambda6-sulfane;[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-(oxetan-3-yl)-oxo-lambda6-sulfane
CID 157621440
N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 157632458
2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-cyclopropylimino-2-methylthiolane 1-oxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-methyl-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-methyl-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide
CID 157758513
(3R)-4-[2-(2-chloro-6-methyl-4-pyridinyl)-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(2-methylbenzimidazol-1-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(2-methyl-4-pyridinyl)-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine
CID 157866022
[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-lambda6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-lambda6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-lambda6-sulfane;dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-lambda6-sulfane;[2-indol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-lambda6-sulfane;[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-(oxetan-3-yl)-oxo-lambda6-sulfane
CID 157893851
2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;1-imino-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-methyliminothiolane 1-oxide;1-methylimino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide
CID 158065096
2-[2-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;1-imino-2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide;1-imino-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1-oxide
CID 158103023
[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-(oxetan-3-yl)-oxo-lambda6-sulfane;cyclopropyl-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-lambda6-sulfane;cyclopropyl-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-lambda6-sulfane;cyclopropyl-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-lambda6-sulfane
CID 158347841

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide?
The IUPAC name of 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide (CID 158615812) is 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide.
What is the SMILES notation for 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide?
The canonical SMILES for 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide is C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-n2c(CF)nc3ccccc32)n1.C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-n2c(CO)nc3ccccc32)n1.C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-n2cnc3ccccc32)n1.[H]N=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2cc(OC)nc3c2C=CC3)n1.[H]N=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2cncc3c2C=CC3)n1.
What is the InChIKey of 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide?
The InChIKey is HXJIBJDCGONDCP-VCESTDHZSA-N. The full InChI is InChI=1S/C22H27N5O3S.C21H24FN5O3S.C21H25N5O4S.C21H25N5O2S.C20H23N5O3S/c1-14-13-30-9-8-27(14)20-12-18(19-7-4-10-31(19,23)28)25-22(26-20)16-11-21(29-2)24-17-6-3-5-15(16)17;1-14-13-30-9-8-26(14)19-11-16(18-7-4-10-31(18,28)29)24-21(25-19)27-17-6-3-2-5-15(17)23-20(27)12-22;1-14-13-30-9-8-25(14)19-11-16(18-7-4-10-31(18,28)29)23-21(24-19)26-17-6-3-2-5-15(17)22-20(26)12-27;1-14-13-28-8-7-26(14)20-10-18(19-6-3-9-29(19,22)27)24-21(25-20)17-12-23-11-15-4-2-5-16(15)17;1-14-12-28-9-8-24(14)19-11-16(18-7-4-10-29(18,26)27)22-20(23-19)25-13-21-15-5-2-3-6-17(15)25/h3,5,11-12,14,19,23H,4,6-10,13H2,1-2H3;2-3,5-6,11,14,18H,4,7-10,12-13H2,1H3;2-3,5-6,11,14,18,27H,4,7-10,12-13H2,1H3;2,5,10-12,14,19,22H,3-4,6-9,13H2,1H3;2-3,5-6,11,13-14,18H,4,7-10,12H2,1H3/t14-,19?,31?;2*14-,18?;14-,19?,29?;14-,18?/m11111/s1.
What are the key properties of 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide?
2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide has a molecular weight of 2155.64 g/mol, XLogP of 13.27, 18 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1-iminothiolane 1-oxide;[1-[4-(1,1-dioxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]methanol;2-[2-[2-(fluoromethyl)benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;1-imino-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1-oxide is sourced from PubChem (CID 158615812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).