9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide

C13H6F3N3O2 — CID 169095203

IUPAC9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2
InChIInChI=1S/C13H6F3N3O2/c14-13(15,16)12-18-4-8-6-2-1-5(11(17)21)3-7(6)10(20)9(8)19-12/h1-4H,(H2,17,21)
InChIKeyADLGBMKOWPJVKB-UHFFFAOYSA-N
MW293.20 g/mol
LogP1.81
Rot. Bonds1

About 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide

9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide (PubChem CID 169095203) has the molecular formula C13H6F3N3O2 and a molecular weight of 293.20 g/mol. Its IUPAC name is 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide
PubChem CID169095203
Molecular FormulaC13H6F3N3O2
Molecular Weight293.20 g/mol
Exact Mass293.04
IUPAC Name9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2
InChIInChI=1S/C13H6F3N3O2/c14-13(15,16)12-18-4-8-6-2-1-5(11(17)21)3-7(6)10(20)9(8)19-12/h1-4H,(H2,17,21)
InChIKeyADLGBMKOWPJVKB-UHFFFAOYSA-N
XLogP1.81
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide 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 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide?
The IUPAC name of 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide (CID 169095203) is 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide?
The canonical SMILES for 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide is NC(=O)c1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2.
What is the InChIKey of 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide?
The InChIKey is ADLGBMKOWPJVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N3O2/c14-13(15,16)12-18-4-8-6-2-1-5(11(17)21)3-7(6)10(20)9(8)19-12/h1-4H,(H2,17,21).
What are the key properties of 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide?
9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide has a molecular weight of 293.20 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 169095203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).