2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone

C21H15FN2O — CID 158775476

IUPAC2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone
SMILESO=C(Cc1ccc(F)c(-c2ccccc2)c1)c1ccnc2c1CC=N2
InChIInChI=1S/C21H15FN2O/c22-19-7-6-14(12-18(19)15-4-2-1-3-5-15)13-20(25)16-8-10-23-21-17(16)9-11-24-21/h1-8,10-12H,9,13H2
InChIKeyYJYNJEBXTXZRSI-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.57
Rot. Bonds4

About 2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone

2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone (PubChem CID 158775476) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone
PubChem CID158775476
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone
SMILESO=C(Cc1ccc(F)c(-c2ccccc2)c1)c1ccnc2c1CC=N2
InChIInChI=1S/C21H15FN2O/c22-19-7-6-14(12-18(19)15-4-2-1-3-5-15)13-20(25)16-8-10-23-21-17(16)9-11-24-21/h1-8,10-12H,9,13H2
InChIKeyYJYNJEBXTXZRSI-UHFFFAOYSA-N
XLogP4.57
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-Phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
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(2E)-1-([1,1'-Biphenyl]-4-yl)-3-(pyridin-3-yl)prop-2-en-1-one
CID 24233261
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CID 24949411
3-[6-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide
CID 54588913

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone?
The IUPAC name of 2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone (CID 158775476) is 2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone.
What is the SMILES notation for 2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone?
The canonical SMILES for 2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone is O=C(Cc1ccc(F)c(-c2ccccc2)c1)c1ccnc2c1CC=N2.
What is the InChIKey of 2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone?
The InChIKey is YJYNJEBXTXZRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c22-19-7-6-14(12-18(19)15-4-2-1-3-5-15)13-20(25)16-8-10-23-21-17(16)9-11-24-21/h1-8,10-12H,9,13H2.
What are the key properties of 2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone?
2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone has a molecular weight of 330.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone is sourced from PubChem (CID 158775476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).