Skip to content

2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid

C16H16F3N5O5 — CID 90241891

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid
SMILESCC1(C)CN(c2ccn(-c3cnnc(C(F)(F)F)c3)n2)C(=O)C(C(O)C(=O)O)O1
InChIInChI=1S/C16H16F3N5O5/c1-15(2)7-23(13(26)12(29-15)11(25)14(27)28)10-3-4-24(22-10)8-5-9(16(17,18)19)21-20-6-8/h3-6,11-12,25H,7H2,1-2H3,(H,27,28)
InChIKeyWGGLFCPOUSANHS-UHFFFAOYSA-N
MW415.33 g/mol
LogP0.64
Rot. Bonds4

About 2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid

2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid (PubChem CID 90241891) has the molecular formula C16H16F3N5O5 and a molecular weight of 415.33 g/mol. Its IUPAC name is 2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid
PubChem CID90241891
Molecular FormulaC16H16F3N5O5
Molecular Weight415.33 g/mol
Exact Mass415.11
IUPAC Name2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid
SMILESCC1(C)CN(c2ccn(-c3cnnc(C(F)(F)F)c3)n2)C(=O)C(C(O)C(=O)O)O1
InChIInChI=1S/C16H16F3N5O5/c1-15(2)7-23(13(26)12(29-15)11(25)14(27)28)10-3-4-24(22-10)8-5-9(16(17,18)19)21-20-6-8/h3-6,11-12,25H,7H2,1-2H3,(H,27,28)
InChIKeyWGGLFCPOUSANHS-UHFFFAOYSA-N
XLogP0.64
TPSA130.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic 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-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid (CID 90241891) is 2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid is CC1(C)CN(c2ccn(-c3cnnc(C(F)(F)F)c3)n2)C(=O)C(C(O)C(=O)O)O1.
What is the InChIKey of 2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid?
The InChIKey is WGGLFCPOUSANHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O5/c1-15(2)7-23(13(26)12(29-15)11(25)14(27)28)10-3-4-24(22-10)8-5-9(16(17,18)19)21-20-6-8/h3-6,11-12,25H,7H2,1-2H3,(H,27,28).
What are the key properties of 2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid?
2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid has a molecular weight of 415.33 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,6-dimethyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 90241891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.