[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate

C22H20F3N5O4 — CID 55522579

IUPAC[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(-n2cccn2)nc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C22H20F3N5O4/c23-22(24,25)16-3-4-18(29-8-10-33-11-9-29)17(12-16)28-20(31)14-34-21(32)15-2-5-19(26-13-15)30-7-1-6-27-30/h1-7,12-13H,8-11,14H2,(H,28,31)
InChIKeyIJTSLCGIZNDKRA-UHFFFAOYSA-N
MW475.43 g/mol
LogP2.92
Rot. Bonds6

About [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate

[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate (PubChem CID 55522579) has the molecular formula C22H20F3N5O4 and a molecular weight of 475.43 g/mol. Its IUPAC name is [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
PubChem CID55522579
Molecular FormulaC22H20F3N5O4
Molecular Weight475.43 g/mol
Exact Mass475.15
IUPAC Name[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(-n2cccn2)nc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C22H20F3N5O4/c23-22(24,25)16-3-4-18(29-8-10-33-11-9-29)17(12-16)28-20(31)14-34-21(32)15-2-5-19(26-13-15)30-7-1-6-27-30/h1-7,12-13H,8-11,14H2,(H,28,31)
InChIKeyIJTSLCGIZNDKRA-UHFFFAOYSA-N
XLogP2.92
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 4831200
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 42983757
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzoylbenzoate
CID 2485763
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-1-carboxylate
CID 2437347
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2365764
2-(4-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7892012
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 7669566
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 4855837
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 55393024
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 5022412
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate
CID 5123115
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-amino-4-fluorobenzoate
CID 27997827

Frequently Asked Questions

What is the IUPAC name of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The IUPAC name of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate (CID 55522579) is [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The canonical SMILES for [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate is O=C(COC(=O)c1ccc(-n2cccn2)nc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The InChIKey is IJTSLCGIZNDKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O4/c23-22(24,25)16-3-4-18(29-8-10-33-11-9-29)17(12-16)28-20(31)14-34-21(32)15-2-5-19(26-13-15)30-7-1-6-27-30/h1-7,12-13H,8-11,14H2,(H,28,31).
What are the key properties of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate has a molecular weight of 475.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 55522579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).