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

C15H13Cl2N3O — CID 15950461

IUPAC3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)NC2
InChIInChI=1S/C15H13Cl2N3O/c1-7-10(5-18)13(9-3-2-8(16)4-11(9)17)14-12(20-7)6-19-15(14)21/h2-4H,5-6,18H2,1H3,(H,19,21)
InChIKeyWVAJNEZWLOLVEH-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.07
Rot. Bonds2

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

3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 15950461) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.19 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID15950461
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.19 g/mol
Exact Mass321.04
IUPAC Name3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)NC2
InChIInChI=1S/C15H13Cl2N3O/c1-7-10(5-18)13(9-3-2-8(16)4-11(9)17)14-12(20-7)6-19-15(14)21/h2-4H,5-6,18H2,1H3,(H,19,21)
InChIKeyWVAJNEZWLOLVEH-UHFFFAOYSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

Bms-767778
CID 15950755
3-(Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyethyl)-2-Methyl-6,7-Dihydro-5h-Pyrrolo[3,4-B]pyridin-5-One
CID 15950463
Methyl [3-(Aminomethyl)-4-(2,4-Dichlorophenyl)-2-Methyl-7-Oxo-5,7-Dihydro-6h-Pyrrolo[3,4-B]pyridin-6-Yl]acetate
CID 15950538
3-(Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyethyl)-2-Methyl-5,6-Dihydro-7h-Pyrrolo[3,4-B]pyridin-7-One
CID 15950615
3-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid
CID 15950616
3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[[(2S)-oxolan-2-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 15950681
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-propylacetamide
CID 15950756
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylacetamide
CID 15950830
3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 15950831
3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-oxo-2-piperidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 15950832
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methylacetamide
CID 53356519
6-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 57390923

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 15950461) is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)NC2.
What is the InChIKey of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is WVAJNEZWLOLVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-7-10(5-18)13(9-3-2-8(16)4-11(9)17)14-12(20-7)6-19-15(14)21/h2-4H,5-6,18H2,1H3,(H,19,21).
What are the key properties of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 322.19 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 15950461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).