4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one

C13H11N3O2 — CID 121184533

IUPAC4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1Cc2cccnc2C1
InChIInChI=1S/C13H11N3O2/c17-12-6-9(3-5-15-12)13(18)16-7-10-2-1-4-14-11(10)8-16/h1-6H,7-8H2,(H,15,17)
InChIKeySRHLRGGVQVOLGY-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.93
Rot. Bonds1

About 4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one

4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one (PubChem CID 121184533) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one
PubChem CID121184533
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1Cc2cccnc2C1
InChIInChI=1S/C13H11N3O2/c17-12-6-9(3-5-15-12)13(18)16-7-10-2-1-4-14-11(10)8-16/h1-6H,7-8H2,(H,15,17)
InChIKeySRHLRGGVQVOLGY-UHFFFAOYSA-N
XLogP0.93
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(1H-indol-6-yl)methanone
CID 121184526
(3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191035
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 121191086
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone
CID 121184528
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 113257128
6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one
CID 121190992
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 121190939
(4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191124
(5-bromo-2-chlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191013
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-methylthiophen-2-yl)methanone
CID 121190850
cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121184511
7,8-dihydro-5H-1,6-naphthyridin-6-yl(1H-indazol-5-yl)methanone
CID 166197233

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one (CID 121184533) is 4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one is O=C(c1cc[nH]c(=O)c1)N1Cc2cccnc2C1.
What is the InChIKey of 4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one?
The InChIKey is SRHLRGGVQVOLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-12-6-9(3-5-15-12)13(18)16-7-10-2-1-4-14-11(10)8-16/h1-6H,7-8H2,(H,15,17).
What are the key properties of 4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one?
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one has a molecular weight of 241.25 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 121184533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).