5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C11H8N4O — CID 101123211

IUPAC5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cc(-c3cncnc3)cnc2N1
InChIInChI=1S/C11H8N4O/c16-10-2-7-1-8(5-14-11(7)15-10)9-3-12-6-13-4-9/h1,3-6H,2H2,(H,14,15,16)
InChIKeyFUMOIHGFKYUCKO-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.03
Rot. Bonds1

About 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 101123211) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID101123211
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cc(-c3cncnc3)cnc2N1
InChIInChI=1S/C11H8N4O/c16-10-2-7-1-8(5-14-11(7)15-10)9-3-12-6-13-4-9/h1,3-6H,2H2,(H,14,15,16)
InChIKeyFUMOIHGFKYUCKO-UHFFFAOYSA-N
XLogP1.03
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-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 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 101123211) is 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Cc2cc(-c3cncnc3)cnc2N1.
What is the InChIKey of 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is FUMOIHGFKYUCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-10-2-7-1-8(5-14-11(7)15-10)9-3-12-6-13-4-9/h1,3-6H,2H2,(H,14,15,16).
What are the key properties of 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 212.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 101123211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).