2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

C8H9N3O — CID 131494941

IUPAC2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCN1Cc2nc(N)ccc2C1=O
InChIInChI=1S/C8H9N3O/c1-11-4-6-5(8(11)12)2-3-7(9)10-6/h2-3H,4H2,1H3,(H2,9,10)
InChIKeyRTVZPGBNXAAWNB-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.25
Rot. Bonds

About 2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 131494941) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID131494941
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCN1Cc2nc(N)ccc2C1=O
InChIInChI=1S/C8H9N3O/c1-11-4-6-5(8(11)12)2-3-7(9)10-6/h2-3H,4H2,1H3,(H2,9,10)
InChIKeyRTVZPGBNXAAWNB-UHFFFAOYSA-N
XLogP0.25
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(6-methyl-pyridin-2-yl)-propionamide
CID 654298
2-[[(6-Methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 2133502
1,3-Dimethyl-6-phenyl-1,7-dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 44285952
US11787802, Example 27
CID 137525758
N,1,9-trimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3237091
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-cyclohexylamino-nicotinamide
CID 118039090
2-[4-(2-Methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277641
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 56836782
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 66723409
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 1-phenyl-3,5,6-trimethyl-
CID 218467
Nicotinamide, 2-anilino-N-ethyl-6-methyl-
CID 3061040
1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-4-(4-methyl-1-piperazinyl)-2-(1-pyrrolidinylmethyl)-
CID 3075245

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 131494941) is 2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is CN1Cc2nc(N)ccc2C1=O.
What is the InChIKey of 2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is RTVZPGBNXAAWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-11-4-6-5(8(11)12)2-3-7(9)10-6/h2-3H,4H2,1H3,(H2,9,10).
What are the key properties of 2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 163.18 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 131494941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).