3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one

C12H11N3O — CID 22388578

IUPAC3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one
SMILESO=C1C=CC2=NC=C(C3=CCNCC3)C2=N1
InChIInChI=1S/C12H11N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13H,4-6H2
InChIKeyKXFDXSLJWQLUPK-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.78
Rot. Bonds1

About 3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one

3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one (PubChem CID 22388578) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one
PubChem CID22388578
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one
SMILESO=C1C=CC2=NC=C(C3=CCNCC3)C2=N1
InChIInChI=1S/C12H11N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13H,4-6H2
InChIKeyKXFDXSLJWQLUPK-UHFFFAOYSA-N
XLogP0.78
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one?
The IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one (CID 22388578) is 3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one.
What is the SMILES notation for 3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one?
The canonical SMILES for 3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one is O=C1C=CC2=NC=C(C3=CCNCC3)C2=N1.
What is the InChIKey of 3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one?
The InChIKey is KXFDXSLJWQLUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13H,4-6H2.
What are the key properties of 3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one?
3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one has a molecular weight of 213.24 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one is sourced from PubChem (CID 22388578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).