4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole

C122H143N21O12S2 — CID 159729155

IUPAC4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole
SMILESCCCOc1ccc2c(c1)C(c1ccnc(N3CCN(C)C(=O)C3)c1)=NC2.CCCOc1ccc2c(c1)C(c1ccnc(N3CCN(C)CC3)c1)=NC2.CCCOc1ccc2c(c1)C(c1ccnc(N3CCN(S(C)(=O)=O)CC3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCC(OC)CC3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCCC3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCS(=O)(=O)CC3)c1)=NC2
InChIInChI=1S/C21H26N4O3S.C21H24N4O2.C21H26N4O.C21H25N3O2.C19H21N3O3S.C19H21N3O/c1-3-12-28-18-5-4-17-15-23-21(19(17)14-18)16-6-7-22-20(13-16)24-8-10-25(11-9-24)29(2,26)27;1-3-10-27-17-5-4-16-13-23-21(18(16)12-17)15-6-7-22-19(11-15)25-9-8-24(2)20(26)14-25;1-3-12-26-18-5-4-17-15-23-21(19(17)14-18)16-6-7-22-20(13-16)25-10-8-24(2)9-11-25;1-3-26-18-5-4-16-14-23-21(19(16)13-18)15-6-9-22-20(12-15)24-10-7-17(25-2)8-11-24;1-2-25-16-4-3-15-13-21-19(17(15)12-16)14-5-6-20-18(11-14)22-7-9-26(23,24)10-8-22;1-2-23-16-6-5-15-13-21-19(17(15)12-16)14-7-8-20-18(11-14)22-9-3-4-10-22/h4-7,13-14H,3,8-12,15H2,1-2H3;4-7,11-12H,3,8-10,13-14H2,1-2H3;4-7,13-14H,3,8-12,15H2,1-2H3;4-6,9,12-13,17H,3,7-8,10-11,14H2,1-2H3;3-6,11-12H,2,7-10,13H2,1H3;5-8,11-12H,2-4,9-10,13H2,1H3
InChIKeyNBACBOFFHJAUHD-UHFFFAOYSA-N
MW2159.75 g/mol
LogP16.72
Rot. Bonds29

About 4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole

4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole (PubChem CID 159729155) has the molecular formula C122H143N21O12S2 and a molecular weight of 2159.75 g/mol. Its IUPAC name is 4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole.

Molecular Properties

Compound Name4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole
PubChem CID159729155
Molecular FormulaC122H143N21O12S2
Molecular Weight2159.75 g/mol
Exact Mass2158.07
IUPAC Name4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole
SMILESCCCOc1ccc2c(c1)C(c1ccnc(N3CCN(C)C(=O)C3)c1)=NC2.CCCOc1ccc2c(c1)C(c1ccnc(N3CCN(C)CC3)c1)=NC2.CCCOc1ccc2c(c1)C(c1ccnc(N3CCN(S(C)(=O)=O)CC3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCC(OC)CC3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCCC3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCS(=O)(=O)CC3)c1)=NC2
InChIInChI=1S/C21H26N4O3S.C21H24N4O2.C21H26N4O.C21H25N3O2.C19H21N3O3S.C19H21N3O/c1-3-12-28-18-5-4-17-15-23-21(19(17)14-18)16-6-7-22-20(13-16)24-8-10-25(11-9-24)29(2,26)27;1-3-10-27-17-5-4-16-13-23-21(18(16)12-17)15-6-7-22-19(11-15)25-9-8-24(2)20(26)14-25;1-3-12-26-18-5-4-17-15-23-21(19(17)14-18)16-6-7-22-20(13-16)25-10-8-24(2)9-11-25;1-3-26-18-5-4-16-14-23-21(19(16)13-18)15-6-9-22-20(12-15)24-10-7-17(25-2)8-11-24;1-2-25-16-4-3-15-13-21-19(17(15)12-16)14-5-6-20-18(11-14)22-7-9-26(23,24)10-8-22;1-2-23-16-6-5-15-13-21-19(17(15)12-16)14-7-8-20-18(11-14)22-9-3-4-10-22/h4-7,13-14H,3,8-12,15H2,1-2H3;4-7,11-12H,3,8-10,13-14H2,1-2H3;4-7,13-14H,3,8-12,15H2,1-2H3;4-6,9,12-13,17H,3,7-8,10-11,14H2,1-2H3;3-6,11-12H,2,7-10,13H2,1H3;5-8,11-12H,2-4,9-10,13H2,1H3
InChIKeyNBACBOFFHJAUHD-UHFFFAOYSA-N
XLogP16.72
TPSA330.62 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds29
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002159.75
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol;5-ethoxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-3-one;2-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]oxy]ethanol
CID 158320383
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-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole;5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;6-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3lambda6-thia-6-azabicyclo[3.2.1]octane 3,3-dioxide;(3S,4S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-4-methoxypyrrolidin-3-ol;1-methyl-4-[4-[6-(oxetan-3-yloxy)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one
CID 159523080
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-(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
cyclopropyl-[4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-isoindole
CID 157881320
5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-[2-(4-methylpiperazin-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 157987002
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole
CID 158041474
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one
CID 158281795
(2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 158283130
(2S,6R)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole
CID 158446744
3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one
CID 158515066

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole?
The IUPAC name of 4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole (CID 159729155) is 4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole.
What is the SMILES notation for 4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole?
The canonical SMILES for 4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole is CCCOc1ccc2c(c1)C(c1ccnc(N3CCN(C)C(=O)C3)c1)=NC2.CCCOc1ccc2c(c1)C(c1ccnc(N3CCN(C)CC3)c1)=NC2.CCCOc1ccc2c(c1)C(c1ccnc(N3CCN(S(C)(=O)=O)CC3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCC(OC)CC3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCCC3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCS(=O)(=O)CC3)c1)=NC2.
What is the InChIKey of 4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole?
The InChIKey is NBACBOFFHJAUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S.C21H24N4O2.C21H26N4O.C21H25N3O2.C19H21N3O3S.C19H21N3O/c1-3-12-28-18-5-4-17-15-23-21(19(17)14-18)16-6-7-22-20(13-16)24-8-10-25(11-9-24)29(2,26)27;1-3-10-27-17-5-4-16-13-23-21(18(16)12-17)15-6-7-22-19(11-15)25-9-8-24(2)20(26)14-25;1-3-12-26-18-5-4-17-15-23-21(19(17)14-18)16-6-7-22-20(13-16)25-10-8-24(2)9-11-25;1-3-26-18-5-4-16-14-23-21(19(16)13-18)15-6-9-22-20(12-15)24-10-7-17(25-2)8-11-24;1-2-25-16-4-3-15-13-21-19(17(15)12-16)14-5-6-20-18(11-14)22-7-9-26(23,24)10-8-22;1-2-23-16-6-5-15-13-21-19(17(15)12-16)14-7-8-20-18(11-14)22-9-3-4-10-22/h4-7,13-14H,3,8-12,15H2,1-2H3;4-7,11-12H,3,8-10,13-14H2,1-2H3;4-7,13-14H,3,8-12,15H2,1-2H3;4-6,9,12-13,17H,3,7-8,10-11,14H2,1-2H3;3-6,11-12H,2,7-10,13H2,1H3;5-8,11-12H,2-4,9-10,13H2,1H3.
What are the key properties of 4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole?
4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole has a molecular weight of 2159.75 g/mol, XLogP of 16.72, 29 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide;5-ethoxy-3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-ethoxy-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole;1-methyl-4-[4-(6-propoxy-3H-isoindol-1-yl)-2-pyridinyl]piperazin-2-one;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propoxy-1H-isoindole is sourced from PubChem (CID 159729155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).