3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione

C24H19N3O3 — CID 10000872

IUPAC3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1cccc2ccccc12
InChIInChI=1S/C24H19N3O3/c28-13-5-12-27-14-19(18-10-4-11-25-22(18)27)21-20(23(29)26-24(21)30)17-9-3-7-15-6-1-2-8-16(15)17/h1-4,6-11,14,28H,5,12-13H2,(H,26,29,30)
InChIKeyRLESTJQOEHIBLM-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.14
Rot. Bonds5

About 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione

3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione (PubChem CID 10000872) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
PubChem CID10000872
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1cccc2ccccc12
InChIInChI=1S/C24H19N3O3/c28-13-5-12-27-14-19(18-10-4-11-25-22(18)27)21-20(23(29)26-24(21)30)17-9-3-7-15-6-1-2-8-16(15)17/h1-4,6-11,14,28H,5,12-13H2,(H,26,29,30)
InChIKeyRLESTJQOEHIBLM-UHFFFAOYSA-N
XLogP3.14
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione (CID 10000872) is 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1cccc2ccccc12.
What is the InChIKey of 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
The InChIKey is RLESTJQOEHIBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-13-5-12-27-14-19(18-10-4-11-25-22(18)27)21-20(23(29)26-24(21)30)17-9-3-7-15-6-1-2-8-16(15)17/h1-4,6-11,14,28H,5,12-13H2,(H,26,29,30).
What are the key properties of 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione?
3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione has a molecular weight of 397.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 10000872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).