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

C107H134FN23O13S5 — CID 158065096

IUPAC2-[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
SMILESCN=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2cc(C)nc(OC)c2)n1.CN=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2ccnc(C)c2)n1.C[C@@H]1COCCN1c1cc(C2(C)CCCS2(=O)=O)nc(-c2cc(F)cc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(C2(C)CCCS2(=O)=O)nc(-c2cncc3c2C=CC3)n1.[H]N=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-n2c(C)nc3ccccc32)n1
InChIInChI=1S/C23H26FN3O3S.C22H26N4O3S.C21H26N6O2S.C21H29N5O3S.C20H27N5O2S/c1-15-14-30-9-8-27(15)21-13-20(23(2)7-4-10-31(23,28)29)25-22(26-21)19-12-17(24)11-16-5-3-6-18(16)19;1-15-14-29-9-8-26(15)20-11-19(22(2)7-4-10-30(22,27)28)24-21(25-20)18-13-23-12-16-5-3-6-17(16)18;1-14-13-29-10-9-26(14)20-12-17(19-8-5-11-30(19,22)28)24-21(25-20)27-15(2)23-16-6-3-4-7-18(16)27;1-14-10-16(11-20(23-14)28-4)21-24-17(18-6-5-9-30(18,27)22-3)12-19(25-21)26-7-8-29-13-15(26)2;1-14-11-16(6-7-22-14)20-23-17(18-5-4-10-28(18,26)21-3)12-19(24-20)25-8-9-27-13-15(25)2/h3,6,11-13,15H,4-5,7-10,14H2,1-2H3;3,6,11-13,15H,4-5,7-10,14H2,1-2H3;3-4,6-7,12,14,19,22H,5,8-11,13H2,1-2H3;10-12,15,18H,5-9,13H2,1-4H3;6-7,11-12,15,18H,4-5,8-10,13H2,1-3H3/t15-,23?;15-,22?;14-,19?,30?;15-,18?,30?;15-,18?,28?/m11111/s1
InChIKeyFLCYXNLCEOPTKR-AOJHDYJOSA-N
MW2129.73 g/mol
LogP15.51
Rot. Bonds16

About 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

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 (PubChem CID 158065096) has the molecular formula C107H134FN23O13S5 and a molecular weight of 2129.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158065096
Molecular FormulaC107H134FN23O13S5
Molecular Weight2129.73 g/mol
Exact Mass2127.91
IUPAC Name2-[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
SMILESCN=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2cc(C)nc(OC)c2)n1.CN=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2ccnc(C)c2)n1.C[C@@H]1COCCN1c1cc(C2(C)CCCS2(=O)=O)nc(-c2cc(F)cc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(C2(C)CCCS2(=O)=O)nc(-c2cncc3c2C=CC3)n1.[H]N=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-n2c(C)nc3ccccc32)n1
InChIInChI=1S/C23H26FN3O3S.C22H26N4O3S.C21H26N6O2S.C21H29N5O3S.C20H27N5O2S/c1-15-14-30-9-8-27(15)21-13-20(23(2)7-4-10-31(23,28)29)25-22(26-21)19-12-17(24)11-16-5-3-6-18(16)19;1-15-14-29-9-8-26(15)20-11-19(22(2)7-4-10-30(22,27)28)24-21(25-20)18-13-23-12-16-5-3-6-17(16)18;1-14-13-29-10-9-26(14)20-12-17(19-8-5-11-30(19,22)28)24-21(25-20)27-15(2)23-16-6-3-4-7-18(16)27;1-14-10-16(11-20(23-14)28-4)21-24-17(18-6-5-9-30(18,27)22-3)12-19(25-21)26-7-8-29-13-15(26)2;1-14-11-16(6-7-22-14)20-23-17(18-5-4-10-28(18,26)21-3)12-19(24-20)25-8-9-27-13-15(25)2/h3,6,11-13,15H,4-5,7-10,14H2,1-2H3;3,6,11-13,15H,4-5,7-10,14H2,1-2H3;3-4,6-7,12,14,19,22H,5,8-11,13H2,1-2H3;10-12,15,18H,5-9,13H2,1-4H3;6-7,11-12,15,18H,4-5,8-10,13H2,1-3H3/t15-,23?;15-,22?;14-,19?,30?;15-,18?,30?;15-,18?,28?/m11111/s1
InChIKeyFLCYXNLCEOPTKR-AOJHDYJOSA-N
XLogP15.51
TPSA425.03 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds16
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002129.73
LogP ≤ 515.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-Methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one
CID 158380075
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-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide
CID 157588242
[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
4-[[4-(2-aminopyrimidin-5-yl)-2-(8-azabicyclo[3.2.1]octan-8-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxamide;2-(8-azabicyclo[3.2.1]octan-8-yl)-4-(6-methoxy-3-pyridinyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidine;4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-isoindol-4-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine
CID 157794995
[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-(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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2cc(C)nc(OC)c2)n1.CN=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-c2ccnc(C)c2)n1.C[C@@H]1COCCN1c1cc(C2(C)CCCS2(=O)=O)nc(-c2cc(F)cc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(C2(C)CCCS2(=O)=O)nc(-c2cncc3c2C=CC3)n1.[H]N=S1(=O)CCCC1c1cc(N2CCOC[C@H]2C)nc(-n2c(C)nc3ccccc32)n1.
What is the InChIKey of 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?
The InChIKey is FLCYXNLCEOPTKR-AOJHDYJOSA-N. The full InChI is InChI=1S/C23H26FN3O3S.C22H26N4O3S.C21H26N6O2S.C21H29N5O3S.C20H27N5O2S/c1-15-14-30-9-8-27(15)21-13-20(23(2)7-4-10-31(23,28)29)25-22(26-21)19-12-17(24)11-16-5-3-6-18(16)19;1-15-14-29-9-8-26(15)20-11-19(22(2)7-4-10-30(22,27)28)24-21(25-20)18-13-23-12-16-5-3-6-17(16)18;1-14-13-29-10-9-26(14)20-12-17(19-8-5-11-30(19,22)28)24-21(25-20)27-15(2)23-16-6-3-4-7-18(16)27;1-14-10-16(11-20(23-14)28-4)21-24-17(18-6-5-9-30(18,27)22-3)12-19(25-21)26-7-8-29-13-15(26)2;1-14-11-16(6-7-22-14)20-23-17(18-5-4-10-28(18,26)21-3)12-19(24-20)25-8-9-27-13-15(25)2/h3,6,11-13,15H,4-5,7-10,14H2,1-2H3;3,6,11-13,15H,4-5,7-10,14H2,1-2H3;3-4,6-7,12,14,19,22H,5,8-11,13H2,1-2H3;10-12,15,18H,5-9,13H2,1-4H3;6-7,11-12,15,18H,4-5,8-10,13H2,1-3H3/t15-,23?;15-,22?;14-,19?,30?;15-,18?,30?;15-,18?,28?/m11111/s1.
What are the key properties of 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?
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 has a molecular weight of 2129.73 g/mol, XLogP of 15.51, 16 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158065096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).