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

C15H13Cl2N3O — CID 15950456

IUPAC3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-one
SMILESCc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CNC2=O
InChIInChI=1S/C15H13Cl2N3O/c1-7-10(5-18)13(9-3-2-8(16)4-12(9)17)11-6-19-15(21)14(11)20-7/h2-4H,5-6,18H2,1H3,(H,19,21)
InChIKeyCVARTXOKUSBAQT-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.07
Rot. Bonds2

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

3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-one (PubChem CID 15950456) 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-5,6-dihydropyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-one
PubChem CID15950456
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.19 g/mol
Exact Mass321.04
IUPAC Name3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-one
SMILESCc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CNC2=O
InChIInChI=1S/C15H13Cl2N3O/c1-7-10(5-18)13(9-3-2-8(16)4-12(9)17)11-6-19-15(21)14(11)20-7/h2-4H,5-6,18H2,1H3,(H,19,21)
InChIKeyCVARTXOKUSBAQT-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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-one (CID 15950456) is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-one is Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CNC2=O.
What is the InChIKey of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-one?
The InChIKey is CVARTXOKUSBAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-7-10(5-18)13(9-3-2-8(16)4-12(9)17)11-6-19-15(21)14(11)20-7/h2-4H,5-6,18H2,1H3,(H,19,21).
What are the key properties of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-one?
3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-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-5,6-dihydropyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 15950456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).