5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole

C120H96N12O8 — CID 157210234

IUPAC5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole
SMILESCOc1cc(OC)cc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.COc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.COc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1OC.Cc1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1O.Oc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.Oc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1
InChIInChI=1S/2C21H18N2O2.2C20H16N2O.2C19H14N2O/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;1-24-18-9-16(10-19(11-18)25-2)21-20(4-3-7-23-21)14-5-6-15-12-22-13-17(15)8-14;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;1-13-9-15(6-7-19(13)23)20-18(3-2-8-22-20)14-4-5-16-11-21-12-17(16)10-14;22-17-4-1-3-14(10-17)19-18(5-2-8-21-19)13-6-7-15-11-20-12-16(15)9-13;22-17-7-5-13(6-8-17)19-18(2-1-9-21-19)14-3-4-15-11-20-12-16(15)10-14/h2*3-11,13H,12H2,1-2H3;2-11,13H,12H2,1H3;2-10,12,23H,11H2,1H3;2*1-10,12,22H,11H2
InChIKeyARUPWTMGDSFCQL-UHFFFAOYSA-N
MW1834.16 g/mol
LogP25.56
Rot. Bonds17

About 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole

5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole (PubChem CID 157210234) has the molecular formula C120H96N12O8 and a molecular weight of 1834.16 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole
PubChem CID157210234
Molecular FormulaC120H96N12O8
Molecular Weight1834.16 g/mol
Exact Mass1832.75
IUPAC Name5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole
SMILESCOc1cc(OC)cc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.COc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.COc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1OC.Cc1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1O.Oc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.Oc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1
InChIInChI=1S/2C21H18N2O2.2C20H16N2O.2C19H14N2O/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;1-24-18-9-16(10-19(11-18)25-2)21-20(4-3-7-23-21)14-5-6-15-12-22-13-17(15)8-14;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;1-13-9-15(6-7-19(13)23)20-18(3-2-8-22-20)14-4-5-16-11-21-12-17(16)10-14;22-17-4-1-3-14(10-17)19-18(5-2-8-21-19)13-6-7-15-11-20-12-16(15)9-13;22-17-7-5-13(6-8-17)19-18(2-1-9-21-19)14-3-4-15-11-20-12-16(15)10-14/h2*3-11,13H,12H2,1-2H3;2-11,13H,12H2,1H3;2-10,12,23H,11H2,1H3;2*1-10,12,22H,11H2
InChIKeyARUPWTMGDSFCQL-UHFFFAOYSA-N
XLogP25.56
TPSA258.34 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001834.16
LogP ≤ 525.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole with MolForge

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Related Compounds

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CID 44559029
(+)-Cycleatjehine
CID 44559030
25,35-Dimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.29,12.118,22.011,16.027,31]heptatriaconta-1(30),3(37),4,6(36),9(35),10,12(34),18(33),19,21,24,26,28,31-tetradecaene-10,21-diol
CID 14467184
N-(4-fluorophenyl)-1-[[2-(3-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 57734002
3-[4-[[4-[3,4-difluoro-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidin-1-yl]methyl]-2-pyridinyl]phenol
CID 142818238
(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
CID 158843348
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
[(1S,14S)-9,20-dimethoxy-15,30-dimethyl-21-(pyridin-3-ylmethoxy)-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-9,20-dimethoxy-15,30-dimethyl-21-[[3-(trifluoromethoxy)phenyl]methoxy]-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol;[(1S,14S)-21-[(4-fluorophenyl)methoxy]-9,20-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-25-yl]methanol
CID 161032410
5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;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 161728994
Palladium nanocapsule
CID 76401476
Platinum nanocapsule
CID 76401477
4-[2-[4-[2-[2,5-dimethyl-4-(6-pyridin-2-yl-3-pyridinyl)phenyl]ethynyl]-2,3,5,6-tetramethoxyphenyl]ethynyl]-N,N-bis(4-methoxyphenyl)aniline
CID 139045192

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole (CID 157210234) is 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole is COc1cc(OC)cc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.COc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.COc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1OC.Cc1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1O.Oc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.Oc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole?
The InChIKey is ARUPWTMGDSFCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H18N2O2.2C20H16N2O.2C19H14N2O/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;1-24-18-9-16(10-19(11-18)25-2)21-20(4-3-7-23-21)14-5-6-15-12-22-13-17(15)8-14;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;1-13-9-15(6-7-19(13)23)20-18(3-2-8-22-20)14-4-5-16-11-21-12-17(16)10-14;22-17-4-1-3-14(10-17)19-18(5-2-8-21-19)13-6-7-15-11-20-12-16(15)9-13;22-17-7-5-13(6-8-17)19-18(2-1-9-21-19)14-3-4-15-11-20-12-16(15)10-14/h2*3-11,13H,12H2,1-2H3;2-11,13H,12H2,1H3;2-10,12,23H,11H2,1H3;2*1-10,12,22H,11H2.
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole?
5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole has a molecular weight of 1834.16 g/mol, XLogP of 25.56, 17 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylphenol;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole is sourced from PubChem (CID 157210234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).