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

C22H21N3O3 — CID 70679296

IUPAC1-hydroxy-6-[1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one
SMILESCOCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21
InChIInChI=1S/C22H21N3O3/c1-28-11-5-9-24-10-8-17-12-19(15-23-22(17)24)20-13-18(14-21(26)25(20)27)16-6-3-2-4-7-16/h2-4,6-8,10,12-15,27H,5,9,11H2,1H3
InChIKeyMIWLVFZOCHMICD-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.81
Rot. Bonds6

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

1-hydroxy-6-[1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one (PubChem CID 70679296) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-hydroxy-6-[1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-6-[1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one
PubChem CID70679296
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name1-hydroxy-6-[1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one
SMILESCOCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21
InChIInChI=1S/C22H21N3O3/c1-28-11-5-9-24-10-8-17-12-19(15-23-22(17)24)20-13-18(14-21(26)25(20)27)16-6-3-2-4-7-16/h2-4,6-8,10,12-15,27H,5,9,11H2,1H3
InChIKeyMIWLVFZOCHMICD-UHFFFAOYSA-N
XLogP3.81
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one?
The IUPAC name of 1-hydroxy-6-[1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one (CID 70679296) is 1-hydroxy-6-[1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one.
What is the SMILES notation for 1-hydroxy-6-[1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one?
The canonical SMILES for 1-hydroxy-6-[1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one is COCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21.
What is the InChIKey of 1-hydroxy-6-[1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one?
The InChIKey is MIWLVFZOCHMICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-11-5-9-24-10-8-17-12-19(15-23-22(17)24)20-13-18(14-21(26)25(20)27)16-6-3-2-4-7-16/h2-4,6-8,10,12-15,27H,5,9,11H2,1H3.
What are the key properties of 1-hydroxy-6-[1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one?
1-hydroxy-6-[1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one has a molecular weight of 375.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-[1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one is sourced from PubChem (CID 70679296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).