3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C20H18F3N5O4 — CID 68789745

IUPAC3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C1CC[C@H](Cn2nc3ccc(C(=O)NCc4ccccc4OC(F)(F)F)cn3c2=O)N1
InChIInChI=1S/C20H18F3N5O4/c21-20(22,23)32-15-4-2-1-3-12(15)9-24-18(30)13-5-7-16-26-28(19(31)27(16)10-13)11-14-6-8-17(29)25-14/h1-5,7,10,14H,6,8-9,11H2,(H,24,30)(H,25,29)/t14-/m1/s1
InChIKeyGINZJWBHXVLXCP-CQSZACIVSA-N
MW449.39 g/mol
LogP1.60
Rot. Bonds6

About 3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 68789745) has the molecular formula C20H18F3N5O4 and a molecular weight of 449.39 g/mol. Its IUPAC name is 3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID68789745
Molecular FormulaC20H18F3N5O4
Molecular Weight449.39 g/mol
Exact Mass449.13
IUPAC Name3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C1CC[C@H](Cn2nc3ccc(C(=O)NCc4ccccc4OC(F)(F)F)cn3c2=O)N1
InChIInChI=1S/C20H18F3N5O4/c21-20(22,23)32-15-4-2-1-3-12(15)9-24-18(30)13-5-7-16-26-28(19(31)27(16)10-13)11-14-6-8-17(29)25-14/h1-5,7,10,14H,6,8-9,11H2,(H,24,30)(H,25,29)/t14-/m1/s1
InChIKeyGINZJWBHXVLXCP-CQSZACIVSA-N
XLogP1.60
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-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 3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 68789745) is 3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C1CC[C@H](Cn2nc3ccc(C(=O)NCc4ccccc4OC(F)(F)F)cn3c2=O)N1.
What is the InChIKey of 3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is GINZJWBHXVLXCP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18F3N5O4/c21-20(22,23)32-15-4-2-1-3-12(15)9-24-18(30)13-5-7-16-26-28(19(31)27(16)10-13)11-14-6-8-17(29)25-14/h1-5,7,10,14H,6,8-9,11H2,(H,24,30)(H,25,29)/t14-/m1/s1.
What are the key properties of 3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 449.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 68789745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).