3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one

C11H8N4O — CID 24801182

IUPAC3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one
SMILESO=c1cc[nH]c2[nH]cc(-c3ccncn3)c12
InChIInChI=1S/C11H8N4O/c16-9-2-4-13-11-10(9)7(5-14-11)8-1-3-12-6-15-8/h1-6H,(H2,13,14,16)
InChIKeyHGRCTDVEDIQMPR-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.31
Rot. Bonds1

About 3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one

3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one (PubChem CID 24801182) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one
PubChem CID24801182
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one
SMILESO=c1cc[nH]c2[nH]cc(-c3ccncn3)c12
InChIInChI=1S/C11H8N4O/c16-9-2-4-13-11-10(9)7(5-14-11)8-1-3-12-6-15-8/h1-6H,(H2,13,14,16)
InChIKeyHGRCTDVEDIQMPR-UHFFFAOYSA-N
XLogP1.31
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one?
The IUPAC name of 3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one (CID 24801182) is 3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one.
What is the SMILES notation for 3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one?
The canonical SMILES for 3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one is O=c1cc[nH]c2[nH]cc(-c3ccncn3)c12.
What is the InChIKey of 3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one?
The InChIKey is HGRCTDVEDIQMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-9-2-4-13-11-10(9)7(5-14-11)8-1-3-12-6-15-8/h1-6H,(H2,13,14,16).
What are the key properties of 3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one?
3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one has a molecular weight of 212.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one is sourced from PubChem (CID 24801182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).