4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one

C20H16ClN3O — CID 90421970

IUPAC4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one
SMILESCCn1ccc(-c2cc3ccncc3n2-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C20H16ClN3O/c1-2-23-10-8-15(12-20(23)25)18-11-14-7-9-22-13-19(14)24(18)17-5-3-16(21)4-6-17/h3-13H,2H2,1H3
InChIKeyWKBWXKRYTZLZQQ-UHFFFAOYSA-N
MW349.82 g/mol
LogP4.53
Rot. Bonds3

About 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one

4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one (PubChem CID 90421970) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one
PubChem CID90421970
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one
SMILESCCn1ccc(-c2cc3ccncc3n2-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C20H16ClN3O/c1-2-23-10-8-15(12-20(23)25)18-11-14-7-9-22-13-19(14)24(18)17-5-3-16(21)4-6-17/h3-13H,2H2,1H3
InChIKeyWKBWXKRYTZLZQQ-UHFFFAOYSA-N
XLogP4.53
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one?
The IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one (CID 90421970) is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one.
What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one?
The canonical SMILES for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one is CCn1ccc(-c2cc3ccncc3n2-c2ccc(Cl)cc2)cc1=O.
What is the InChIKey of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one?
The InChIKey is WKBWXKRYTZLZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c1-2-23-10-8-15(12-20(23)25)18-11-14-7-9-22-13-19(14)24(18)17-5-3-16(21)4-6-17/h3-13H,2H2,1H3.
What are the key properties of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one?
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one has a molecular weight of 349.82 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-ethylpyridin-2-one is sourced from PubChem (CID 90421970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).