[5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C23H18ClF3N6O — CID 25054133

IUPAC[5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1nnc2ccc(-c3ccccc3Cl)nc21
InChIInChI=1S/C23H18ClF3N6O/c24-18-7-2-1-6-17(18)19-8-9-20-21(28-19)33(30-29-20)22(34)32-12-10-31(11-13-32)16-5-3-4-15(14-16)23(25,26)27/h1-9,14H,10-13H2
InChIKeyOFJJQUIWCYQOHH-UHFFFAOYSA-N
MW486.89 g/mol
LogP4.96
Rot. Bonds2

About [5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 25054133) has the molecular formula C23H18ClF3N6O and a molecular weight of 486.89 g/mol. Its IUPAC name is [5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID25054133
Molecular FormulaC23H18ClF3N6O
Molecular Weight486.89 g/mol
Exact Mass486.12
IUPAC Name[5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1nnc2ccc(-c3ccccc3Cl)nc21
InChIInChI=1S/C23H18ClF3N6O/c24-18-7-2-1-6-17(18)19-8-9-20-21(28-19)33(30-29-20)22(34)32-12-10-31(11-13-32)16-5-3-4-15(14-16)23(25,26)27/h1-9,14H,10-13H2
InChIKeyOFJJQUIWCYQOHH-UHFFFAOYSA-N
XLogP4.96
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.89
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone 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-[[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 3878462
2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline
CID 46085043
2-benzylsulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 4177185
(6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3557816
[2-(2-fluorophenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4557350
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526572
2-phenoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 3554555
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17153069
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 42803962
2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 24631736
4-chloro-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 5222838
(2S)-2-amino-4-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one
CID 118427533

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 25054133) is [5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1nnc2ccc(-c3ccccc3Cl)nc21.
What is the InChIKey of [5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is OFJJQUIWCYQOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N6O/c24-18-7-2-1-6-17(18)19-8-9-20-21(28-19)33(30-29-20)22(34)32-12-10-31(11-13-32)16-5-3-4-15(14-16)23(25,26)27/h1-9,14H,10-13H2.
What are the key properties of [5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 486.89 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 25054133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).