2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C15H15N5O — CID 110267702

IUPAC2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(C3CCCN3c3ncccn3)ccc21
InChIInChI=1S/C15H15N5O/c21-14-10-4-5-11(19-12(10)9-18-14)13-3-1-8-20(13)15-16-6-2-7-17-15/h2,4-7,13H,1,3,8-9H2,(H,18,21)
InChIKeyJEEFHGQSOJHFAA-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.46
Rot. Bonds2

About 2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 110267702) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID110267702
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(C3CCCN3c3ncccn3)ccc21
InChIInChI=1S/C15H15N5O/c21-14-10-4-5-11(19-12(10)9-18-14)13-3-1-8-20(13)15-16-6-2-7-17-15/h2,4-7,13H,1,3,8-9H2,(H,18,21)
InChIKeyJEEFHGQSOJHFAA-UHFFFAOYSA-N
XLogP1.46
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 110267702) is 2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is O=C1NCc2nc(C3CCCN3c3ncccn3)ccc21.
What is the InChIKey of 2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is JEEFHGQSOJHFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-14-10-4-5-11(19-12(10)9-18-14)13-3-1-8-20(13)15-16-6-2-7-17-15/h2,4-7,13H,1,3,8-9H2,(H,18,21).
What are the key properties of 2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 281.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 110267702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).