3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one

C22H19Cl2N3O2 — CID 15950385

IUPAC3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCOc1ccc(N2Cc3c(nc(C)c(CN)c3-c3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C22H19Cl2N3O2/c1-12-17(10-25)20(16-8-3-13(23)9-19(16)24)18-11-27(22(28)21(18)26-12)14-4-6-15(29-2)7-5-14/h3-9H,10-11,25H2,1-2H3
InChIKeyJSBRNGDYGFBUPK-UHFFFAOYSA-N
MW428.32 g/mol
LogP4.99
Rot. Bonds4

About 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one

3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 15950385) has the molecular formula C22H19Cl2N3O2 and a molecular weight of 428.32 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID15950385
Molecular FormulaC22H19Cl2N3O2
Molecular Weight428.32 g/mol
Exact Mass427.09
IUPAC Name3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCOc1ccc(N2Cc3c(nc(C)c(CN)c3-c3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C22H19Cl2N3O2/c1-12-17(10-25)20(16-8-3-13(23)9-19(16)24)18-11-27(22(28)21(18)26-12)14-4-6-15(29-2)7-5-14/h3-9H,10-11,25H2,1-2H3
InChIKeyJSBRNGDYGFBUPK-UHFFFAOYSA-N
XLogP4.99
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-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

3-(Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyphenyl)-2-Methyl-5,6-Dihydro-7h-Pyrrolo[3,4-B]pyridin-7-One
CID 15950383
3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 15950389
3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 15950459
3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(3-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 15950541
2-[(4-chlorophenyl)methyl]-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 60168913
2-(2-chlorophenyl)-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 71716479
2-(4-chlorophenyl)-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 71718319
2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-(4-ethylpiperazin-1-yl)ethanone;hydrochloride
CID 16196742
2-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 16546559
5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 22038458
[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 71698083
2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}-1-(piperidin-1-yl)ethan-1-one
CID 7964055

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one (CID 15950385) is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one is COc1ccc(N2Cc3c(nc(C)c(CN)c3-c3ccc(Cl)cc3Cl)C2=O)cc1.
What is the InChIKey of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
The InChIKey is JSBRNGDYGFBUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O2/c1-12-17(10-25)20(16-8-3-13(23)9-19(16)24)18-11-27(22(28)21(18)26-12)14-4-6-15(29-2)7-5-14/h3-9H,10-11,25H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one has a molecular weight of 428.32 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 15950385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).