4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide

C20H18F3N7O2 — CID 86969216

IUPAC4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)CC2)cc1
InChIInChI=1S/C20H18F3N7O2/c21-20(22,23)14-3-6-17(25-11-14)30-12-16(26-27-30)19(32)29-9-7-28(8-10-29)15-4-1-13(2-5-15)18(24)31/h1-6,11-12H,7-10H2,(H2,24,31)
InChIKeyXLGUBTLTZIFMLB-UHFFFAOYSA-N
MW445.41 g/mol
LogP1.74
Rot. Bonds4

About 4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide

4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide (PubChem CID 86969216) has the molecular formula C20H18F3N7O2 and a molecular weight of 445.41 g/mol. Its IUPAC name is 4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide
PubChem CID86969216
Molecular FormulaC20H18F3N7O2
Molecular Weight445.41 g/mol
Exact Mass445.15
IUPAC Name4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)CC2)cc1
InChIInChI=1S/C20H18F3N7O2/c21-20(22,23)14-3-6-17(25-11-14)30-12-16(26-27-30)19(32)29-9-7-28(8-10-29)15-4-1-13(2-5-15)18(24)31/h1-6,11-12H,7-10H2,(H2,24,31)
InChIKeyXLGUBTLTZIFMLB-UHFFFAOYSA-N
XLogP1.74
TPSA110.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 30863667
6-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514733
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
[3-(1-aminoethyl)piperidin-1-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone;dihydrochloride
CID 119593032
[3-(methylaminomethyl)piperidin-1-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone;dihydrochloride
CID 119395099
[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone;dihydrochloride
CID 119538739
5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 175979853
N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86969180
[2-(4-fluorophenyl)tetrazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 71791476
1-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 46448035
N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
CID 119572533
[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 99874418

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide (CID 86969216) is 4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(C(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)CC2)cc1.
What is the InChIKey of 4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide?
The InChIKey is XLGUBTLTZIFMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O2/c21-20(22,23)14-3-6-17(25-11-14)30-12-16(26-27-30)19(32)29-9-7-28(8-10-29)15-4-1-13(2-5-15)18(24)31/h1-6,11-12H,7-10H2,(H2,24,31).
What are the key properties of 4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide?
4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide has a molecular weight of 445.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 86969216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).