1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one

C23H23N3O2 — CID 71455760

IUPAC1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one
SMILESCCCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21
InChIInChI=1S/C23H23N3O2/c1-2-3-7-11-25-12-10-18-13-20(16-24-23(18)25)21-14-19(15-22(27)26(21)28)17-8-5-4-6-9-17/h4-6,8-10,12-16,28H,2-3,7,11H2,1H3
InChIKeyOCLGWFAOMNZCGA-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.96
Rot. Bonds6

About 1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one

1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one (PubChem CID 71455760) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one
PubChem CID71455760
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one
SMILESCCCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21
InChIInChI=1S/C23H23N3O2/c1-2-3-7-11-25-12-10-18-13-20(16-24-23(18)25)21-14-19(15-22(27)26(21)28)17-8-5-4-6-9-17/h4-6,8-10,12-16,28H,2-3,7,11H2,1H3
InChIKeyOCLGWFAOMNZCGA-UHFFFAOYSA-N
XLogP4.96
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one?
The IUPAC name of 1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one (CID 71455760) is 1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one.
What is the SMILES notation for 1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one?
The canonical SMILES for 1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one is CCCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21.
What is the InChIKey of 1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one?
The InChIKey is OCLGWFAOMNZCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-2-3-7-11-25-12-10-18-13-20(16-24-23(18)25)21-14-19(15-22(27)26(21)28)17-8-5-4-6-9-17/h4-6,8-10,12-16,28H,2-3,7,11H2,1H3.
What are the key properties of 1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one?
1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one has a molecular weight of 373.46 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-(1-pentylpyrrolo[2,3-b]pyridin-5-yl)-4-phenylpyridin-2-one is sourced from PubChem (CID 71455760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).