2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid

C21H15F4N3O4 — CID 71144576

IUPAC2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)NC(c2ccc(C(F)(F)F)cc2)c2ncccc2F)ccc1=O
InChIInChI=1S/C21H15F4N3O4/c22-15-2-1-9-26-19(15)18(12-3-6-14(7-4-12)21(23,24)25)27-20(32)13-5-8-16(29)28(10-13)11-17(30)31/h1-10,18H,11H2,(H,27,32)(H,30,31)
InChIKeyBQGRATCBLFJVPM-UHFFFAOYSA-N
MW449.36 g/mol
LogP3.01
Rot. Bonds6

About 2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid

2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 71144576) has the molecular formula C21H15F4N3O4 and a molecular weight of 449.36 g/mol. Its IUPAC name is 2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid
PubChem CID71144576
Molecular FormulaC21H15F4N3O4
Molecular Weight449.36 g/mol
Exact Mass449.10
IUPAC Name2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)NC(c2ccc(C(F)(F)F)cc2)c2ncccc2F)ccc1=O
InChIInChI=1S/C21H15F4N3O4/c22-15-2-1-9-26-19(15)18(12-3-6-14(7-4-12)21(23,24)25)27-20(32)13-5-8-16(29)28(10-13)11-17(30)31/h1-10,18H,11H2,(H,27,32)(H,30,31)
InChIKeyBQGRATCBLFJVPM-UHFFFAOYSA-N
XLogP3.01
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid 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-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid (CID 71144576) is 2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid is O=C(O)Cn1cc(C(=O)NC(c2ccc(C(F)(F)F)cc2)c2ncccc2F)ccc1=O.
What is the InChIKey of 2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is BQGRATCBLFJVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3O4/c22-15-2-1-9-26-19(15)18(12-3-6-14(7-4-12)21(23,24)25)27-20(32)13-5-8-16(29)28(10-13)11-17(30)31/h1-10,18H,11H2,(H,27,32)(H,30,31).
What are the key properties of 2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid?
2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 449.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 71144576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).