5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one

C15H11N3O — CID 91664555

IUPAC5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3cc4cccnc4[nH]3)ccc21
InChIInChI=1S/C15H11N3O/c19-15-12-4-3-9(6-11(12)8-17-15)13-7-10-2-1-5-16-14(10)18-13/h1-7H,8H2,(H,16,18)(H,17,19)
InChIKeyUBPMSMINURQQNV-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.47
Rot. Bonds1

About 5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one

5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one (PubChem CID 91664555) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one
PubChem CID91664555
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3cc4cccnc4[nH]3)ccc21
InChIInChI=1S/C15H11N3O/c19-15-12-4-3-9(6-11(12)8-17-15)13-7-10-2-1-5-16-14(10)18-13/h1-7H,8H2,(H,16,18)(H,17,19)
InChIKeyUBPMSMINURQQNV-UHFFFAOYSA-N
XLogP2.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one (CID 91664555) is 5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one is O=C1NCc2cc(-c3cc4cccnc4[nH]3)ccc21.
What is the InChIKey of 5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is UBPMSMINURQQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-15-12-4-3-9(6-11(12)8-17-15)13-7-10-2-1-5-16-14(10)18-13/h1-7H,8H2,(H,16,18)(H,17,19).
What are the key properties of 5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one?
5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 249.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 91664555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).