2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide

C22H19FN4O2 — CID 20931997

IUPAC2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide
SMILESCc1c(C)n(-c2ccccc2)c2ncn(CC(=O)Nc3cccc(F)c3)c(=O)c12
InChIInChI=1S/C22H19FN4O2/c1-14-15(2)27(18-9-4-3-5-10-18)21-20(14)22(29)26(13-24-21)12-19(28)25-17-8-6-7-16(23)11-17/h3-11,13H,12H2,1-2H3,(H,25,28)
InChIKeyXHDVCPDKWUIDFB-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.58
Rot. Bonds4

About 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide

2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 20931997) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide
PubChem CID20931997
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide
SMILESCc1c(C)n(-c2ccccc2)c2ncn(CC(=O)Nc3cccc(F)c3)c(=O)c12
InChIInChI=1S/C22H19FN4O2/c1-14-15(2)27(18-9-4-3-5-10-18)21-20(14)22(29)26(13-24-21)12-19(28)25-17-8-6-7-16(23)11-17/h3-11,13H,12H2,1-2H3,(H,25,28)
InChIKeyXHDVCPDKWUIDFB-UHFFFAOYSA-N
XLogP3.58
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide (CID 20931997) is 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide is Cc1c(C)n(-c2ccccc2)c2ncn(CC(=O)Nc3cccc(F)c3)c(=O)c12.
What is the InChIKey of 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is XHDVCPDKWUIDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-14-15(2)27(18-9-4-3-5-10-18)21-20(14)22(29)26(13-24-21)12-19(28)25-17-8-6-7-16(23)11-17/h3-11,13H,12H2,1-2H3,(H,25,28).
What are the key properties of 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide?
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 390.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 20931997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).