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

C23H19F3N4O2 — CID 20931969

IUPAC2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1c(C)n(-c2ccccc2)c2ncn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c12
InChIInChI=1S/C23H19F3N4O2/c1-14-15(2)30(16-8-4-3-5-9-16)21-20(14)22(32)29(13-27-21)12-19(31)28-18-11-7-6-10-17(18)23(24,25)26/h3-11,13H,12H2,1-2H3,(H,28,31)
InChIKeyGGGXDGJACKOPJK-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.46
Rot. Bonds4

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

2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 20931969) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID20931969
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1c(C)n(-c2ccccc2)c2ncn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c12
InChIInChI=1S/C23H19F3N4O2/c1-14-15(2)30(16-8-4-3-5-9-16)21-20(14)22(32)29(13-27-21)12-19(31)28-18-11-7-6-10-17(18)23(24,25)26/h3-11,13H,12H2,1-2H3,(H,28,31)
InChIKeyGGGXDGJACKOPJK-UHFFFAOYSA-N
XLogP4.46
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 20931969) is 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1c(C)n(-c2ccccc2)c2ncn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c12.
What is the InChIKey of 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GGGXDGJACKOPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-14-15(2)30(16-8-4-3-5-9-16)21-20(14)22(32)29(13-27-21)12-19(31)28-18-11-7-6-10-17(18)23(24,25)26/h3-11,13H,12H2,1-2H3,(H,28,31).
What are the key properties of 2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 440.43 g/mol, XLogP of 4.46, 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-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 20931969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).