2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide

C111H127FN18O17S5 — CID 162165054

IUPAC2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide
SMILESCC1=CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)S1(=O)=O.CCOc1cc(-c2nc(C3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)c2c(n1)CC=C2.COc1cc2c(c(-c3nc(C4CCCS4(=O)=O)cc(N4CCOC[C@H]4C)n3)c1)C=CC2.C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-c2cc(F)cc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-c2ccnc3c2C=CC3)n1
InChIInChI=1S/C23H28N4O4S.C23H27N3O4S.C22H24FN3O3S.C22H24N4O3S.C21H24N4O3S/c1-3-31-22-12-17(16-6-4-7-18(16)24-22)23-25-19(20-8-5-11-32(20,28)29)13-21(26-23)27-9-10-30-14-15(27)2;1-15-14-30-9-8-26(15)22-13-20(21-7-4-10-31(21,27)28)24-23(25-22)19-12-17(29-2)11-16-5-3-6-18(16)19;1-14-13-29-8-7-26(14)21-12-19(20-6-3-9-30(20,27)28)24-22(25-21)18-11-16(23)10-15-4-2-5-17(15)18;1-14-13-29-11-10-26(14)21-12-19(20-7-6-15(2)30(20,27)28)24-22(25-21)17-8-9-23-18-5-3-4-16(17)18;1-14-13-28-10-9-25(14)20-12-18(19-6-3-11-29(19,26)27)23-21(24-20)16-7-8-22-17-5-2-4-15(16)17/h4,6,12-13,15,20H,3,5,7-11,14H2,1-2H3;3,6,11-13,15,21H,4-5,7-10,14H2,1-2H3;2,5,10-12,14,20H,3-4,6-9,13H2,1H3;3-4,6,8-9,12,14,20H,5,7,10-11,13H2,1-2H3;2,4,7-8,12,14,19H,3,5-6,9-11,13H2,1H3/t15-,20?;15-,21?;2*14-,20?;14-,19?/m11111/s1
InChIKeyZMZXAUIWPZSLOF-FFHJBJJNSA-N
MW2164.68 g/mol
LogP15.18
Rot. Bonds18

About 2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-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]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide (PubChem CID 162165054) has the molecular formula C111H127FN18O17S5 and a molecular weight of 2164.68 g/mol. Its IUPAC name is 2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide
PubChem CID162165054
Molecular FormulaC111H127FN18O17S5
Molecular Weight2164.68 g/mol
Exact Mass2162.82
IUPAC Name2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide
SMILESCC1=CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)S1(=O)=O.CCOc1cc(-c2nc(C3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)c2c(n1)CC=C2.COc1cc2c(c(-c3nc(C4CCCS4(=O)=O)cc(N4CCOC[C@H]4C)n3)c1)C=CC2.C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-c2cc(F)cc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-c2ccnc3c2C=CC3)n1
InChIInChI=1S/C23H28N4O4S.C23H27N3O4S.C22H24FN3O3S.C22H24N4O3S.C21H24N4O3S/c1-3-31-22-12-17(16-6-4-7-18(16)24-22)23-25-19(20-8-5-11-32(20,28)29)13-21(26-23)27-9-10-30-14-15(27)2;1-15-14-30-9-8-26(15)22-13-20(21-7-4-10-31(21,27)28)24-23(25-22)19-12-17(29-2)11-16-5-3-6-18(16)19;1-14-13-29-8-7-26(14)21-12-19(20-6-3-9-30(20,27)28)24-22(25-21)18-11-16(23)10-15-4-2-5-17(15)18;1-14-13-29-11-10-26(14)21-12-19(20-7-6-15(2)30(20,27)28)24-22(25-21)17-8-9-23-18-5-3-4-16(17)18;1-14-13-28-10-9-25(14)20-12-18(19-6-3-11-29(19,26)27)23-21(24-20)16-7-8-22-17-5-2-4-15(16)17/h4,6,12-13,15,20H,3,5,7-11,14H2,1-2H3;3,6,11-13,15,21H,4-5,7-10,14H2,1-2H3;2,5,10-12,14,20H,3-4,6-9,13H2,1H3;3-4,6,8-9,12,14,20H,5,7,10-11,13H2,1-2H3;2,4,7-8,12,14,19H,3,5-6,9-11,13H2,1H3/t15-,20?;15-,21?;2*14-,20?;14-,19?/m11111/s1
InChIKeyZMZXAUIWPZSLOF-FFHJBJJNSA-N
XLogP15.18
TPSA419.08 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds18
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002164.68
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide with MolForge

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Related Compounds

N,N-diethyl-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-amine;1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-[6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
CID 158500821
4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran
CID 159808209
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
CID 161129114
(2S)-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;(2R)-2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;(2S)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide
CID 157306508
2-[4-[[4-(1,3-benzoxathiol-6-yl)-2-fluorophenoxy]methyl]piperidin-1-yl]-5-methylpyrimidine;(3R)-6-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3-fluorophenyl]-1,3lambda4-benzoxathiole 3-oxide;6-[4-[[1-(4-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3-fluorophenyl]-1,3lambda4-benzoxathiole 3-oxide;6-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3-fluorophenyl]-1,3lambda4-benzoxathiole 3-oxide;(3R)-6-[3-fluoro-4-[[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]methoxy]phenyl]-1,3lambda4-benzoxathiole 3-oxide;(3S)-6-[3-fluoro-4-[[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]methoxy]phenyl]-1,3lambda4-benzoxathiole 3-oxide;(3R)-6-[3-fluoro-4-[[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methoxy]phenyl]-1,3lambda4-benzoxathiole 3-oxide;(3S)-6-[3-fluoro-4-[[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methoxy]phenyl]-1,3lambda4-benzoxathiole 3-oxide
CID 157575645
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
3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine
CID 157709414
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
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
(2R,6S)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R,6S)-4-[6-[6-[(2R)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2R)-4-[6-[6-[(2R)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[6-[(2R)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;5-[(2S)-1-methoxypropan-2-yl]oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 158095817
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
CID 158470396
CID 158470396

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide?
The IUPAC name of 2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide (CID 162165054) is 2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide is CC1=CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)S1(=O)=O.CCOc1cc(-c2nc(C3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)c2c(n1)CC=C2.COc1cc2c(c(-c3nc(C4CCCS4(=O)=O)cc(N4CCOC[C@H]4C)n3)c1)C=CC2.C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-c2cc(F)cc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-c2ccnc3c2C=CC3)n1.
What is the InChIKey of 2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide?
The InChIKey is ZMZXAUIWPZSLOF-FFHJBJJNSA-N. The full InChI is InChI=1S/C23H28N4O4S.C23H27N3O4S.C22H24FN3O3S.C22H24N4O3S.C21H24N4O3S/c1-3-31-22-12-17(16-6-4-7-18(16)24-22)23-25-19(20-8-5-11-32(20,28)29)13-21(26-23)27-9-10-30-14-15(27)2;1-15-14-30-9-8-26(15)22-13-20(21-7-4-10-31(21,27)28)24-23(25-22)19-12-17(29-2)11-16-5-3-6-18(16)19;1-14-13-29-8-7-26(14)21-12-19(20-6-3-9-30(20,27)28)24-22(25-21)18-11-16(23)10-15-4-2-5-17(15)18;1-14-13-29-11-10-26(14)21-12-19(20-7-6-15(2)30(20,27)28)24-22(25-21)17-8-9-23-18-5-3-4-16(17)18;1-14-13-28-10-9-25(14)20-12-18(19-6-3-11-29(19,26)27)23-21(24-20)16-7-8-22-17-5-2-4-15(16)17/h4,6,12-13,15,20H,3,5,7-11,14H2,1-2H3;3,6,11-13,15,21H,4-5,7-10,14H2,1-2H3;2,5,10-12,14,20H,3-4,6-9,13H2,1H3;3-4,6,8-9,12,14,20H,5,7,10-11,13H2,1-2H3;2,4,7-8,12,14,19H,3,5-6,9-11,13H2,1H3/t15-,20?;15-,21?;2*14-,20?;14-,19?/m11111/s1.
What are the key properties of 2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-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]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide has a molecular weight of 2164.68 g/mol, XLogP of 15.18, 18 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 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-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 162165054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).