5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole

C100H78F3N11O4 — CID 158953713

IUPAC5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
SMILESCOc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.COc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1OC.COc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.Cc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)n1.FC(F)(F)c1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1
InChIInChI=1S/C21H18N2O2.C20H13F3N2.2C20H16N2O.C19H15N3/c1-24-19-8-7-15(11-20(19)25-2)21-18(4-3-9-23-21)14-5-6-16-12-22-13-17(16)10-14;21-20(22,23)17-7-5-13(6-8-17)19-18(2-1-9-25-19)14-3-4-15-11-24-12-16(15)10-14;1-23-18-5-2-4-15(11-18)20-19(6-3-9-22-20)14-7-8-16-12-21-13-17(16)10-14;1-23-18-8-6-14(7-9-18)20-19(3-2-10-22-20)15-4-5-16-12-21-13-17(16)11-15;1-13-4-2-6-18(22-13)19-17(5-3-9-21-19)14-7-8-15-11-20-12-16(15)10-14/h3-11,13H,12H2,1-2H3;1-10,12H,11H2;2*2-11,13H,12H2,1H3;2-10,12H,11H2,1H3
InChIKeyJLTAEQNQXKUGBR-UHFFFAOYSA-N
MW1554.79 g/mol
LogP22.50
Rot. Bonds14

About 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole

5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole (PubChem CID 158953713) has the molecular formula C100H78F3N11O4 and a molecular weight of 1554.79 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
PubChem CID158953713
Molecular FormulaC100H78F3N11O4
Molecular Weight1554.79 g/mol
Exact Mass1553.62
IUPAC Name5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
SMILESCOc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.COc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1OC.COc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.Cc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)n1.FC(F)(F)c1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1
InChIInChI=1S/C21H18N2O2.C20H13F3N2.2C20H16N2O.C19H15N3/c1-24-19-8-7-15(11-20(19)25-2)21-18(4-3-9-23-21)14-5-6-16-12-22-13-17(16)10-14;21-20(22,23)17-7-5-13(6-8-17)19-18(2-1-9-25-19)14-3-4-15-11-24-12-16(15)10-14;1-23-18-5-2-4-15(11-18)20-19(6-3-9-22-20)14-7-8-16-12-21-13-17(16)10-14;1-23-18-8-6-14(7-9-18)20-19(3-2-10-22-20)15-4-5-16-12-21-13-17(16)11-15;1-13-4-2-6-18(22-13)19-17(5-3-9-21-19)14-7-8-15-11-20-12-16(15)10-14/h3-11,13H,12H2,1-2H3;1-10,12H,11H2;2*2-11,13H,12H2,1H3;2-10,12H,11H2,1H3
InChIKeyJLTAEQNQXKUGBR-UHFFFAOYSA-N
XLogP22.50
TPSA176.06 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001554.79
LogP ≤ 522.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole with MolForge

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Related Compounds

1-[[3-[(6,7-Dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium diiodide
CID 23630699
1-[[4-[(6,7-Dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium diiodide
CID 23630701
8-[3,4-bis[3-(1-methylpyridin-1-ium-3-yl)propoxy]phenyl]-4,12-bis[(E)-2-[3,4-bis[3-(1-methylpyridin-1-ium-3-yl)propoxy]phenyl]ethenyl]-2,2-difluoro-6,10-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene hexaiodide
CID 155518310
1-[[2-[4-(Trifluoromethyl)phenyl]pyridin-4-yl]methyl]-4-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperazine
CID 18546808
2-[4-(4-Fluorophenyl)-2-pyridinyl]-3,4,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium
CID 56592311
2-[2,6-Bis(4-fluorophenyl)-4-pyridinyl]-3,4,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium
CID 56592312
N-[[2-(3-ethenyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-fluoro-4-methylphenyl)-4-pyridinyl]methyl]-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-amine
CID 142218017
butane;1-[[5-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine;ethane
CID 142818085
N-[[2-(3-cyclopropyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[5-(3-cyclopropyl-5-methoxy-4-methylphenyl)-3-pyridinyl]methyl]-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 142906026
2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;propan-2-ylcyclohexane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile
CID 157257878
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]pyridine;3-[3-[3-[3-[4-[2-[4-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]ethoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 157280274
2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
CID 157803903

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole (CID 158953713) is 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole is COc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.COc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1OC.COc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.Cc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)n1.FC(F)(F)c1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole?
The InChIKey is JLTAEQNQXKUGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2.C20H13F3N2.2C20H16N2O.C19H15N3/c1-24-19-8-7-15(11-20(19)25-2)21-18(4-3-9-23-21)14-5-6-16-12-22-13-17(16)10-14;21-20(22,23)17-7-5-13(6-8-17)19-18(2-1-9-25-19)14-3-4-15-11-24-12-16(15)10-14;1-23-18-5-2-4-15(11-18)20-19(6-3-9-22-20)14-7-8-16-12-21-13-17(16)10-14;1-23-18-8-6-14(7-9-18)20-19(3-2-10-22-20)15-4-5-16-12-21-13-17(16)11-15;1-13-4-2-6-18(22-13)19-17(5-3-9-21-19)14-7-8-15-11-20-12-16(15)10-14/h3-11,13H,12H2,1-2H3;1-10,12H,11H2;2*2-11,13H,12H2,1H3;2-10,12H,11H2,1H3.
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole?
5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole has a molecular weight of 1554.79 g/mol, XLogP of 22.50, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole is sourced from PubChem (CID 158953713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).