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

C20H15ClFN3O — CID 139219379

IUPAC7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCCn1cnc2c(c(-c3ccccc3)cn2-c2ccc(F)c(Cl)c2)c1=O
InChIInChI=1S/C20H15ClFN3O/c1-2-24-12-23-19-18(20(24)26)15(13-6-4-3-5-7-13)11-25(19)14-8-9-17(22)16(21)10-14/h3-12H,2H2,1H3
InChIKeyJQBGXEJKWSETSK-UHFFFAOYSA-N
MW367.81 g/mol
LogP4.67
Rot. Bonds3

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

7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 139219379) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is 7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one
PubChem CID139219379
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC Name7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCCn1cnc2c(c(-c3ccccc3)cn2-c2ccc(F)c(Cl)c2)c1=O
InChIInChI=1S/C20H15ClFN3O/c1-2-24-12-23-19-18(20(24)26)15(13-6-4-3-5-7-13)11-25(19)14-8-9-17(22)16(21)10-14/h3-12H,2H2,1H3
InChIKeyJQBGXEJKWSETSK-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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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one (CID 139219379) is 7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one is CCn1cnc2c(c(-c3ccccc3)cn2-c2ccc(F)c(Cl)c2)c1=O.
What is the InChIKey of 7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is JQBGXEJKWSETSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c1-2-24-12-23-19-18(20(24)26)15(13-6-4-3-5-7-13)11-25(19)14-8-9-17(22)16(21)10-14/h3-12H,2H2,1H3.
What are the key properties of 7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one?
7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[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 7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 139219379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).