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

C21H19N3O3 — CID 71461181

IUPAC1-hydroxy-6-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one
SMILESCOCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21
InChIInChI=1S/C21H19N3O3/c1-27-10-9-23-8-7-16-11-18(14-22-21(16)23)19-12-17(13-20(25)24(19)26)15-5-3-2-4-6-15/h2-8,11-14,26H,9-10H2,1H3
InChIKeyUDERDBUIILFLCF-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.42
Rot. Bonds5

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

1-hydroxy-6-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one (PubChem CID 71461181) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-hydroxy-6-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-6-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one
PubChem CID71461181
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name1-hydroxy-6-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one
SMILESCOCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21
InChIInChI=1S/C21H19N3O3/c1-27-10-9-23-8-7-16-11-18(14-22-21(16)23)19-12-17(13-20(25)24(19)26)15-5-3-2-4-6-15/h2-8,11-14,26H,9-10H2,1H3
InChIKeyUDERDBUIILFLCF-UHFFFAOYSA-N
XLogP3.42
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Imidazopyridine 18b
CID 5329352
2-[bis(2-methoxyethyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
CID 135962835
Imidazopyridine 18c
CID 5329353
1-Hydroxy-6-[1-(3-Methoxypropyl)-1h-Pyrrolo[2,3-B]pyridin-5-Yl]-4-Phenylpyridin-2(1h)-One
CID 70679296
6-(4-morpholinobenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444218
6-Methyl-3-(morpholinomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 3594650
(E)-3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 11610262
1-{4-[7-(2-hydroxyethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}-3-pyridin-4-ylurea
CID 44599029
1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}phenyl)-3-ethylurea
CID 44601112
1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}phenyl)-3-methylurea
CID 44601113
Ethyl 2-[4-(benzylamino)-2-methylpyrrolo[2,3-d]pyrimidin-7-yl]acetate
CID 44531070
6-(1-Butylpyrrolo[2,3-b]pyridin-5-yl)-1-hydroxy-4-phenylpyridin-2-one
CID 71454022

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one?
The IUPAC name of 1-hydroxy-6-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one (CID 71461181) is 1-hydroxy-6-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one.
What is the SMILES notation for 1-hydroxy-6-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one?
The canonical SMILES for 1-hydroxy-6-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one is COCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21.
What is the InChIKey of 1-hydroxy-6-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one?
The InChIKey is UDERDBUIILFLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-10-9-23-8-7-16-11-18(14-22-21(16)23)19-12-17(13-20(25)24(19)26)15-5-3-2-4-6-15/h2-8,11-14,26H,9-10H2,1H3.
What are the key properties of 1-hydroxy-6-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one?
1-hydroxy-6-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one has a molecular weight of 361.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2-one is sourced from PubChem (CID 71461181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).