2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid

C20H21F3N4O4 — CID 46864736

IUPAC2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(C(F)(F)F)ncc2=O)nc1
InChIInChI=1S/C20H21F3N4O4/c21-20(22,23)15-11-27(17(28)10-24-15)14(7-12-3-1-2-4-12)19(31)26-16-6-5-13(9-25-16)8-18(29)30/h5-6,9-12,14H,1-4,7-8H2,(H,29,30)(H,25,26,31)/t14-/m0/s1
InChIKeyLJLXRPJGLWXKPG-AWEZNQCLSA-N
MW438.41 g/mol
LogP3.04
Rot. Bonds7

About 2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid

2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid (PubChem CID 46864736) has the molecular formula C20H21F3N4O4 and a molecular weight of 438.41 g/mol. Its IUPAC name is 2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid
PubChem CID46864736
Molecular FormulaC20H21F3N4O4
Molecular Weight438.41 g/mol
Exact Mass438.15
IUPAC Name2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(C(F)(F)F)ncc2=O)nc1
InChIInChI=1S/C20H21F3N4O4/c21-20(22,23)15-11-27(17(28)10-24-15)14(7-12-3-1-2-4-12)19(31)26-16-6-5-13(9-25-16)8-18(29)30/h5-6,9-12,14H,1-4,7-8H2,(H,29,30)(H,25,26,31)/t14-/m0/s1
InChIKeyLJLXRPJGLWXKPG-AWEZNQCLSA-N
XLogP3.04
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-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-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid (CID 46864736) is 2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(C(F)(F)F)ncc2=O)nc1.
What is the InChIKey of 2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid?
The InChIKey is LJLXRPJGLWXKPG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21F3N4O4/c21-20(22,23)15-11-27(17(28)10-24-15)14(7-12-3-1-2-4-12)19(31)26-16-6-5-13(9-25-16)8-18(29)30/h5-6,9-12,14H,1-4,7-8H2,(H,29,30)(H,25,26,31)/t14-/m0/s1.
What are the key properties of 2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid?
2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid has a molecular weight of 438.41 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoyl]amino]-3-pyridinyl]acetic acid is sourced from PubChem (CID 46864736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).