5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one

C20H15ClFN3O — CID 139219386

IUPAC5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCn1cnc2c(c(-c3ccc(Cl)cc3)cn2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C20H15ClFN3O/c1-2-24-12-23-19-18(20(24)26)17(13-3-5-14(21)6-4-13)11-25(19)16-9-7-15(22)8-10-16/h3-12H,2H2,1H3
InChIKeySSYROEOENJGXQI-UHFFFAOYSA-N
MW367.81 g/mol
LogP4.67
Rot. Bonds3

About 5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one

5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 139219386) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID139219386
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC Name5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCn1cnc2c(c(-c3ccc(Cl)cc3)cn2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C20H15ClFN3O/c1-2-24-12-23-19-18(20(24)26)17(13-3-5-14(21)6-4-13)11-25(19)16-9-7-15(22)8-10-16/h3-12H,2H2,1H3
InChIKeySSYROEOENJGXQI-UHFFFAOYSA-N
XLogP4.67
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135463744
Plazinemdor
CID 146315728
5-(4-chlorophenyl)-2-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135646528
7-(4-Fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-ol
CID 135500640
7-(3-Chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135463376
7-(4-Methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135444983
N-[(4-chlorophenyl)methyl]-2-fluoro-N-pyridin-2-ylbenzamide
CID 16454233
4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162658384
4-[5-(4-chlorophenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162670332
7-(3-Methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135463790
4-{[3-(4-Chloro-2-fluorophenyl)piperidin-1-yl]carbonyl}-N,N-dimethylpyridin-2-amine
CID 117858368
1-[4-[(4-Chloro-3-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653712

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one (CID 139219386) is 5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one is CCn1cnc2c(c(-c3ccc(Cl)cc3)cn2-c2ccc(F)cc2)c1=O.
What is the InChIKey of 5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is SSYROEOENJGXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c1-2-24-12-23-19-18(20(24)26)17(13-3-5-14(21)6-4-13)11-25(19)16-9-7-15(22)8-10-16/h3-12H,2H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one?
5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 367.81 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-ethyl-7-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 139219386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).