3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one

C11H9N5O — CID 24801699

IUPAC3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one
SMILESNc1nccc(-c2c[nH]c3[nH]ccc(=O)c23)n1
InChIInChI=1S/C11H9N5O/c12-11-14-3-1-7(16-11)6-5-15-10-9(6)8(17)2-4-13-10/h1-5H,(H2,12,14,16)(H2,13,15,17)
InChIKeyJYGNOLIKBUTZNC-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.90
Rot. Bonds1

About 3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one

3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one (PubChem CID 24801699) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one
PubChem CID24801699
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one
SMILESNc1nccc(-c2c[nH]c3[nH]ccc(=O)c23)n1
InChIInChI=1S/C11H9N5O/c12-11-14-3-1-7(16-11)6-5-15-10-9(6)8(17)2-4-13-10/h1-5H,(H2,12,14,16)(H2,13,15,17)
InChIKeyJYGNOLIKBUTZNC-UHFFFAOYSA-N
XLogP0.90
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one (CID 24801699) is 3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one is Nc1nccc(-c2c[nH]c3[nH]ccc(=O)c23)n1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one?
The InChIKey is JYGNOLIKBUTZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-11-14-3-1-7(16-11)6-5-15-10-9(6)8(17)2-4-13-10/h1-5H,(H2,12,14,16)(H2,13,15,17).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one?
3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one has a molecular weight of 227.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-1,7-dihydropyrrolo[2,3-b]pyridin-4-one is sourced from PubChem (CID 24801699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).