2-fluoro-4-[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-(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

C119H85F4N15O2 — CID 159490819

IUPAC2-fluoro-4-[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-(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.COc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.Cc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)n1.FC(F)(F)c1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.N#Cc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.N#Cc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1F
InChIInChI=1S/C20H13F3N2.C20H12FN3.C20H13N3.2C20H16N2O.C19H15N3/c21-20(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;21-19-9-14(4-5-15(19)10-22)20-18(2-1-7-24-20)13-3-6-16-11-23-12-17(16)8-13;21-11-14-3-5-15(6-4-14)20-19(2-1-9-23-20)16-7-8-17-12-22-13-18(17)10-16;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/h1-10,12H,11H2;1-9,12H,11H2;1-10,13H,12H2;2*2-11,13H,12H2,1H3;2-10,12H,11H2,1H3
InChIKeyLYDZIQSGNXBJGP-UHFFFAOYSA-N
MW1833.08 g/mol
LogP26.71
Rot. Bonds14

About 2-fluoro-4-[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-(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

2-fluoro-4-[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-(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 159490819) has the molecular formula C119H85F4N15O2 and a molecular weight of 1833.08 g/mol. Its IUPAC name is 2-fluoro-4-[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-(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 Name2-fluoro-4-[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-(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 CID159490819
Molecular FormulaC119H85F4N15O2
Molecular Weight1833.08 g/mol
Exact Mass1831.69
IUPAC Name2-fluoro-4-[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-(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.COc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.Cc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)n1.FC(F)(F)c1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.N#Cc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.N#Cc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1F
InChIInChI=1S/C20H13F3N2.C20H12FN3.C20H13N3.2C20H16N2O.C19H15N3/c21-20(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;21-19-9-14(4-5-15(19)10-22)20-18(2-1-7-24-20)13-3-6-16-11-23-12-17(16)8-13;21-11-14-3-5-15(6-4-14)20-19(2-1-9-23-20)16-7-8-17-12-22-13-18(17)10-16;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/h1-10,12H,11H2;1-9,12H,11H2;1-10,13H,12H2;2*2-11,13H,12H2,1H3;2-10,12H,11H2,1H3
InChIKeyLYDZIQSGNXBJGP-UHFFFAOYSA-N
XLogP26.71
TPSA230.43 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001833.08
LogP ≤ 526.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-fluoro-4-[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-(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

4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095340
5-[2-Fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine
CID 139441427
(3E,7E)-3,7-bis[cyano-(3,5-dicyanophenyl)methylidene]-2,6-dipyridin-2-yl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile
CID 155139741
5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-dipyridin-2-yl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 155618526
1-[3-[3,5-Bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-4-cyclohexylisoquinoline;bis(1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline);1-[3-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]-4-cyclohexylisoquinoline;1-[3-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[4-[3-(4-tert-butylphenyl)-5-(4-propan-2-ylphenyl)phenoxy]benzene-6-id-1-yl]isoquinoline;hexakis(iridium);pentane-2,4-diol
CID 157059438
5-(3,5-Difluorophenyl)-1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;5-(4-fluorophenyl)-1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;methane;5-(4-methoxyphenyl)-1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyrazin-1-ium;[4-methyl-3-(2-methylphenyl)-6-phenylpyrazin-4-ium-2-yl]methanol;1,2,5-trimethyl-6-(2-methylphenyl)-3-phenylpyrazin-1-ium
CID 157174933
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
CID 157566422
CID 157566422
3-Tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 157586124
(3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethyl)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile
CID 157764349
2-[(5Z)-3-cyano-5-[cyano(isocyano)methylidene]-4,8-bis(4-cyanophenyl)-2,6-difluoro-7-isocyano-s-indacen-1-ylidene]propanedinitrile;2-[(5Z)-3-cyano-5-[cyano(isocyano)methylidene]-2,6-difluoro-7-isocyano-4,8-bis[3-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]propanedinitrile;2-[3-cyano-5-(diisocyanomethylidene)-2,6-difluoro-7-isocyano-4,8-dipyridin-2-yl-s-indacen-1-ylidene]propanedinitrile
CID 157770375
2-tert-butylbenzonitrile;3-tert-butylbenzonitrile;4-tert-butylbenzonitrile;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-2-fluoropyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 157801975

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[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-(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 2-fluoro-4-[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-(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 159490819) is 2-fluoro-4-[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-(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 2-fluoro-4-[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-(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 2-fluoro-4-[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-(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.COc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.Cc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)n1.FC(F)(F)c1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.N#Cc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.N#Cc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1F.
What is the InChIKey of 2-fluoro-4-[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-(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 LYDZIQSGNXBJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2.C20H12FN3.C20H13N3.2C20H16N2O.C19H15N3/c21-20(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;21-19-9-14(4-5-15(19)10-22)20-18(2-1-7-24-20)13-3-6-16-11-23-12-17(16)8-13;21-11-14-3-5-15(6-4-14)20-19(2-1-9-23-20)16-7-8-17-12-22-13-18(17)10-16;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/h1-10,12H,11H2;1-9,12H,11H2;1-10,13H,12H2;2*2-11,13H,12H2,1H3;2-10,12H,11H2,1H3.
What are the key properties of 2-fluoro-4-[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-(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?
2-fluoro-4-[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-(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 1833.08 g/mol, XLogP of 26.71, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[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-(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 159490819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).