7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C21H17Cl2N3O2 — CID 22582297

IUPAC7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(CN2C(=O)c3cccnc3C2Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H17Cl2N3O2/c1-28-15-7-4-13(5-8-15)12-26-20(19-16(21(26)27)3-2-10-24-19)25-14-6-9-17(22)18(23)11-14/h2-11,20,25H,12H2,1H3
InChIKeyXQYSXEFCJTXLML-UHFFFAOYSA-N
MW414.29 g/mol
LogP5.16
Rot. Bonds5

About 7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 22582297) has the molecular formula C21H17Cl2N3O2 and a molecular weight of 414.29 g/mol. Its IUPAC name is 7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID22582297
Molecular FormulaC21H17Cl2N3O2
Molecular Weight414.29 g/mol
Exact Mass413.07
IUPAC Name7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(CN2C(=O)c3cccnc3C2Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H17Cl2N3O2/c1-28-15-7-4-13(5-8-15)12-26-20(19-16(21(26)27)3-2-10-24-19)25-14-6-9-17(22)18(23)11-14/h2-11,20,25H,12H2,1H3
InChIKeyXQYSXEFCJTXLML-UHFFFAOYSA-N
XLogP5.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.29
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(4-chlorophenyl)amino]-6-(4-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3236480
6-(4-ethoxyphenyl)-7-[(4-fluorophenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3238114
7-[(5-Chloro-2,4-dimethoxyphenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-B]pyridin-5-one
CID 3238999
7-[(3-chloro-4-methoxyphenyl)amino]-6-(4-methoxybenzyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3240050
7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 3243170
3-[(3-Chloro-4-methoxyphenyl)amino]-2-(pyridin-3-YL)-2,3-dihydro-1H-isoindol-1-one
CID 5307783
6-[(4-methoxyphenyl)methyl]-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 9551244
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 57510706
6-(4-ethoxyphenyl)-7-[(4-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3244523
N-(3,4-dichlorophenyl)-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide
CID 49792613
N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 57392769
6-(4-ethoxyphenyl)-7-[(4-methoxyphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3244217

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 22582297) is 7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is COc1ccc(CN2C(=O)c3cccnc3C2Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is XQYSXEFCJTXLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O2/c1-28-15-7-4-13(5-8-15)12-26-20(19-16(21(26)27)3-2-10-24-19)25-14-6-9-17(22)18(23)11-14/h2-11,20,25H,12H2,1H3.
What are the key properties of 7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 414.29 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 22582297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).