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

C21H16ClN3O — CID 90421869

IUPAC4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-cyclopropylpyridin-2-one
SMILESO=c1cc(-c2cc3ccncc3n2-c2ccc(Cl)cc2)ccn1C1CC1
InChIInChI=1S/C21H16ClN3O/c22-16-1-3-18(4-2-16)25-19(11-14-7-9-23-13-20(14)25)15-8-10-24(17-5-6-17)21(26)12-15/h1-4,7-13,17H,5-6H2
InChIKeyANMSOARYIIUEQS-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.84
Rot. Bonds3

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

4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-cyclopropylpyridin-2-one (PubChem CID 90421869) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-cyclopropylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-cyclopropylpyridin-2-one
PubChem CID90421869
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-cyclopropylpyridin-2-one
SMILESO=c1cc(-c2cc3ccncc3n2-c2ccc(Cl)cc2)ccn1C1CC1
InChIInChI=1S/C21H16ClN3O/c22-16-1-3-18(4-2-16)25-19(11-14-7-9-23-13-20(14)25)15-8-10-24(17-5-6-17)21(26)12-15/h1-4,7-13,17H,5-6H2
InChIKeyANMSOARYIIUEQS-UHFFFAOYSA-N
XLogP4.84
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.84
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-cyclopropylpyridin-2-one?
The IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-cyclopropylpyridin-2-one (CID 90421869) is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-cyclopropylpyridin-2-one.
What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-cyclopropylpyridin-2-one?
The canonical SMILES for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-cyclopropylpyridin-2-one is O=c1cc(-c2cc3ccncc3n2-c2ccc(Cl)cc2)ccn1C1CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-cyclopropylpyridin-2-one?
The InChIKey is ANMSOARYIIUEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-16-1-3-18(4-2-16)25-19(11-14-7-9-23-13-20(14)25)15-8-10-24(17-5-6-17)21(26)12-15/h1-4,7-13,17H,5-6H2.
What are the key properties of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-cyclopropylpyridin-2-one?
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-cyclopropylpyridin-2-one has a molecular weight of 361.83 g/mol, XLogP of 4.84, 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-cyclopropylpyridin-2-one is sourced from PubChem (CID 90421869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).