3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one

C24H21N3O3 — CID 67117357

IUPAC3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one
SMILESCOc1ccc(C2c3ccccc3C(=O)N2c2ccn3c(C)cnc3c2)cc1OC
InChIInChI=1S/C24H21N3O3/c1-15-14-25-22-13-17(10-11-26(15)22)27-23(18-6-4-5-7-19(18)24(27)28)16-8-9-20(29-2)21(12-16)30-3/h4-14,23H,1-3H3
InChIKeyOXOVSBZBLDAACR-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.41
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one

3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one (PubChem CID 67117357) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one
PubChem CID67117357
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one
SMILESCOc1ccc(C2c3ccccc3C(=O)N2c2ccn3c(C)cnc3c2)cc1OC
InChIInChI=1S/C24H21N3O3/c1-15-14-25-22-13-17(10-11-26(15)22)27-23(18-6-4-5-7-19(18)24(27)28)16-8-9-20(29-2)21(12-16)30-3/h4-14,23H,1-3H3
InChIKeyOXOVSBZBLDAACR-UHFFFAOYSA-N
XLogP4.41
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one
CID 58229083
2-(3H-benzimidazol-5-yl)-3-(3,4-dimethoxyphenyl)-3H-isoindol-1-one
CID 58229235
3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 176893532
(5R)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
CID 1108822
(4Z)-5-(3,4-dichlorophenyl)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108680157
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methoxy-3H-isoindol-1-one
CID 57240400
(4S)-4-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 1409615
(4R)-4-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 41035010
3-(cyclopropylmethyl)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3H-isoindol-1-one
CID 57121512
(4E,5S)-5-(3,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 5442046
(4Z)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-(3,5-dimethylphenyl)-5-phenylpyrrolidine-2,3-dione
CID 108638178
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 57249849

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one (CID 67117357) is 3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one is COc1ccc(C2c3ccccc3C(=O)N2c2ccn3c(C)cnc3c2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one?
The InChIKey is OXOVSBZBLDAACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15-14-25-22-13-17(10-11-26(15)22)27-23(18-6-4-5-7-19(18)24(27)28)16-8-9-20(29-2)21(12-16)30-3/h4-14,23H,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one?
3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one has a molecular weight of 399.45 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one is sourced from PubChem (CID 67117357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).