4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile

C23H17N3O — CID 142474977

IUPAC4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCC(=O)c1ccc(-c2ncc3c(ccn3C)c2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H17N3O/c1-15(27)17-7-9-19(10-8-17)23-22(18-5-3-16(13-24)4-6-18)20-11-12-26(2)21(20)14-25-23/h3-12,14H,1-2H3
InChIKeyOKBNKRZZJPYCDM-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.98
Rot. Bonds3

About 4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile

4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile (PubChem CID 142474977) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile
PubChem CID142474977
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCC(=O)c1ccc(-c2ncc3c(ccn3C)c2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H17N3O/c1-15(27)17-7-9-19(10-8-17)23-22(18-5-3-16(13-24)4-6-18)20-11-12-26(2)21(20)14-25-23/h3-12,14H,1-2H3
InChIKeyOKBNKRZZJPYCDM-UHFFFAOYSA-N
XLogP4.98
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The IUPAC name of 4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile (CID 142474977) is 4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The canonical SMILES for 4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile is CC(=O)c1ccc(-c2ncc3c(ccn3C)c2-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The InChIKey is OKBNKRZZJPYCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-15(27)17-7-9-19(10-8-17)23-22(18-5-3-16(13-24)4-6-18)20-11-12-26(2)21(20)14-25-23/h3-12,14H,1-2H3.
What are the key properties of 4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile has a molecular weight of 351.41 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 142474977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).