1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone

C19H14N2OS — CID 11507994

IUPAC1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)s1
InChIInChI=1S/C19H14N2OS/c1-12(22)17-7-8-18(23-17)16-11-21-19-15(16)9-14(10-20-19)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)
InChIKeyVBFSDRNGIDRNOH-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.16
Rot. Bonds3

About 1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone

1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone (PubChem CID 11507994) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone
PubChem CID11507994
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)s1
InChIInChI=1S/C19H14N2OS/c1-12(22)17-7-8-18(23-17)16-11-21-19-15(16)9-14(10-20-19)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)
InChIKeyVBFSDRNGIDRNOH-UHFFFAOYSA-N
XLogP5.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone (CID 11507994) is 1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)s1.
What is the InChIKey of 1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone?
The InChIKey is VBFSDRNGIDRNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-12(22)17-7-8-18(23-17)16-11-21-19-15(16)9-14(10-20-19)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21).
What are the key properties of 1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone?
1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone has a molecular weight of 318.40 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 11507994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).