2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C11H10N4O — CID 11149391

IUPAC2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccncn3)cc21
InChIInChI=1S/C11H10N4O/c16-11-7-5-10(9-1-3-12-6-14-9)15-8(7)2-4-13-11/h1,3,5-6,15H,2,4H2,(H,13,16)
InChIKeyGTYLLXBCKBBAHV-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.76
Rot. Bonds1

About 2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11149391) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11149391
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccncn3)cc21
InChIInChI=1S/C11H10N4O/c16-11-7-5-10(9-1-3-12-6-14-9)15-8(7)2-4-13-11/h1,3,5-6,15H,2,4H2,(H,13,16)
InChIKeyGTYLLXBCKBBAHV-UHFFFAOYSA-N
XLogP0.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11149391) is 2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccncn3)cc21.
What is the InChIKey of 2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is GTYLLXBCKBBAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c16-11-7-5-10(9-1-3-12-6-14-9)15-8(7)2-4-13-11/h1,3,5-6,15H,2,4H2,(H,13,16).
What are the key properties of 2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 214.23 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11149391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).