(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

C126H157N25O19S — CID 158095817

IUPAC(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
SMILESCOC[C@@H](C)Oc1ccc2c(c1)C(c1cc(N3CCOCC3)ncn1)=NC2.COC[C@@H](C)Oc1ccc2c(c1)C(c1cc(N3CCO[C@H](C)C3)ncn1)=NC2.COC[C@@H](C)Oc1ccc2c(c1)C(c1cc(N3C[C@@H](C)O[C@@H](C)C3)ncn1)=NC2.COC[C@H](C)Oc1ccc2c(c1)C(c1cc(N3CCN(S(C)(=O)=O)CC3)ncn1)=NC2.COC[C@H](C)Oc1ccc2c(c1)C(c1cc(N3CCOCC3)ncn1)=NC2.COC[C@H](C)Oc1ccc2c(c1)C(c1cc(N3C[C@@H](C)O[C@@H](C)C3)ncn1)=NC2
InChIInChI=1S/2C22H28N4O3.C21H27N5O4S.C21H26N4O3.2C20H24N4O3/c2*1-14-10-26(11-15(2)28-14)21-8-20(24-13-25-21)22-19-7-18(29-16(3)12-27-4)6-5-17(19)9-23-22;1-15(13-29-2)30-17-5-4-16-12-22-21(18(16)10-17)19-11-20(24-14-23-19)25-6-8-26(9-7-25)31(3,27)28;1-14-11-25(6-7-27-14)20-9-19(23-13-24-20)21-18-8-17(28-15(2)12-26-3)5-4-16(18)10-22-21;2*1-14(12-25-2)27-16-4-3-15-11-21-20(17(15)9-16)18-10-19(23-13-22-18)24-5-7-26-8-6-24/h2*5-8,13-16H,9-12H2,1-4H3;4-5,10-11,14-15H,6-9,12-13H2,1-3H3;4-5,8-9,13-15H,6-7,10-12H2,1-3H3;2*3-4,9-10,13-14H,5-8,11-12H2,1-2H3/t2*14-,15+,16-;15-;14-,15-;2*14-/m100110/s1
InChIKeyFOQLSLCBINDQIG-XWJAJKIWSA-N
MW2357.86 g/mol
LogP13.65
Rot. Bonds37

About (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

(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 (PubChem CID 158095817) has the molecular formula C126H157N25O19S and a molecular weight of 2357.86 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158095817
Molecular FormulaC126H157N25O19S
Molecular Weight2357.86 g/mol
Exact Mass2356.18
IUPAC Name(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
SMILESCOC[C@@H](C)Oc1ccc2c(c1)C(c1cc(N3CCOCC3)ncn1)=NC2.COC[C@@H](C)Oc1ccc2c(c1)C(c1cc(N3CCO[C@H](C)C3)ncn1)=NC2.COC[C@@H](C)Oc1ccc2c(c1)C(c1cc(N3C[C@@H](C)O[C@@H](C)C3)ncn1)=NC2.COC[C@H](C)Oc1ccc2c(c1)C(c1cc(N3CCN(S(C)(=O)=O)CC3)ncn1)=NC2.COC[C@H](C)Oc1ccc2c(c1)C(c1cc(N3CCOCC3)ncn1)=NC2.COC[C@H](C)Oc1ccc2c(c1)C(c1cc(N3C[C@@H](C)O[C@@H](C)C3)ncn1)=NC2
InChIInChI=1S/2C22H28N4O3.C21H27N5O4S.C21H26N4O3.2C20H24N4O3/c2*1-14-10-26(11-15(2)28-14)21-8-20(24-13-25-21)22-19-7-18(29-16(3)12-27-4)6-5-17(19)9-23-22;1-15(13-29-2)30-17-5-4-16-12-22-21(18(16)10-17)19-11-20(24-14-23-19)25-6-8-26(9-7-25)31(3,27)28;1-14-11-25(6-7-27-14)20-9-19(23-13-24-20)21-18-8-17(28-15(2)12-26-3)5-4-16(18)10-22-21;2*1-14(12-25-2)27-16-4-3-15-11-21-20(17(15)9-16)18-10-19(23-13-22-18)24-5-7-26-8-6-24/h2*5-8,13-16H,9-12H2,1-4H3;4-5,10-11,14-15H,6-9,12-13H2,1-3H3;4-5,8-9,13-15H,6-7,10-12H2,1-3H3;2*3-4,9-10,13-14H,5-8,11-12H2,1-2H3/t2*14-,15+,16-;15-;14-,15-;2*14-/m100110/s1
InChIKeyFOQLSLCBINDQIG-XWJAJKIWSA-N
XLogP13.65
TPSA442.57 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds37
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002357.86
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze (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 with MolForge

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Related Compounds

3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;2-(methoxymethyl)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(3S,5R)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3,5-dimethylmorpholine;(3S)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 157507598
3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;3-[6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;[(3S)-1-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
CID 157764108
3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 159400339
3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;3-(2-pyrrolidin-1-yl-4-pyridinyl)-5-(trifluoromethoxy)-1H-isoindole;3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole
CID 160143373
3-[6-[(3R)-4-(1-cyclopropylpropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-4-(1-methoxypropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[(3R)-3-methyl-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole
CID 160334125
5,5-dimethyl-7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3-(trifluoromethyl)-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine;9-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(phenoxymethyl)morpholine;3-[4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
CID 160670058
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
3-[6-(3,3-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;3-[6-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;(3S,5R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3,5-dimethylmorpholine;(3R,5R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3,5-dimethylmorpholine;(3R)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 162161168
5-(2-methoxyethoxy)-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 147070630
3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 157098395
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;2,2,3,3,5,5,6,6-octadeuterio-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 157245089
(2R,6S)-2,6-dimethyl-4-[6-[6-(oxan-4-yloxy)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;5-(1-methylcyclopropyl)oxy-3-[6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-4-yl]-1H-isoindole;4-[6-[6-(oxan-4-yloxy)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 157409832

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COC[C@@H](C)Oc1ccc2c(c1)C(c1cc(N3CCOCC3)ncn1)=NC2.COC[C@@H](C)Oc1ccc2c(c1)C(c1cc(N3CCO[C@H](C)C3)ncn1)=NC2.COC[C@@H](C)Oc1ccc2c(c1)C(c1cc(N3C[C@@H](C)O[C@@H](C)C3)ncn1)=NC2.COC[C@H](C)Oc1ccc2c(c1)C(c1cc(N3CCN(S(C)(=O)=O)CC3)ncn1)=NC2.COC[C@H](C)Oc1ccc2c(c1)C(c1cc(N3CCOCC3)ncn1)=NC2.COC[C@H](C)Oc1ccc2c(c1)C(c1cc(N3C[C@@H](C)O[C@@H](C)C3)ncn1)=NC2.
What is the InChIKey of (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?
The InChIKey is FOQLSLCBINDQIG-XWJAJKIWSA-N. The full InChI is InChI=1S/2C22H28N4O3.C21H27N5O4S.C21H26N4O3.2C20H24N4O3/c2*1-14-10-26(11-15(2)28-14)21-8-20(24-13-25-21)22-19-7-18(29-16(3)12-27-4)6-5-17(19)9-23-22;1-15(13-29-2)30-17-5-4-16-12-22-21(18(16)10-17)19-11-20(24-14-23-19)25-6-8-26(9-7-25)31(3,27)28;1-14-11-25(6-7-27-14)20-9-19(23-13-24-20)21-18-8-17(28-15(2)12-26-3)5-4-16(18)10-22-21;2*1-14(12-25-2)27-16-4-3-15-11-21-20(17(15)9-16)18-10-19(23-13-22-18)24-5-7-26-8-6-24/h2*5-8,13-16H,9-12H2,1-4H3;4-5,10-11,14-15H,6-9,12-13H2,1-3H3;4-5,8-9,13-15H,6-7,10-12H2,1-3H3;2*3-4,9-10,13-14H,5-8,11-12H2,1-2H3/t2*14-,15+,16-;15-;14-,15-;2*14-/m100110/s1.
What are the key properties of (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?
(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 has a molecular weight of 2357.86 g/mol, XLogP of 13.65, 37 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158095817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).