5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C23H22F3N7O — CID 70890191

IUPAC5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nn1Cc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C23H22F3N7O/c1-15-12-19(22-29-21(31-34-22)17-3-5-18(6-4-17)23(24,25)26)30-33(15)14-16-2-7-20(28-13-16)32-10-8-27-9-11-32/h2-7,12-13,27H,8-11,14H2,1H3
InChIKeyHEIAIJKAUSPMFD-UHFFFAOYSA-N
MW469.47 g/mol
LogP3.78
Rot. Bonds5

About 5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 70890191) has the molecular formula C23H22F3N7O and a molecular weight of 469.47 g/mol. Its IUPAC name is 5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID70890191
Molecular FormulaC23H22F3N7O
Molecular Weight469.47 g/mol
Exact Mass469.18
IUPAC Name5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nn1Cc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C23H22F3N7O/c1-15-12-19(22-29-21(31-34-22)17-3-5-18(6-4-17)23(24,25)26)30-33(15)14-16-2-7-20(28-13-16)32-10-8-27-9-11-32/h2-7,12-13,27H,8-11,14H2,1H3
InChIKeyHEIAIJKAUSPMFD-UHFFFAOYSA-N
XLogP3.78
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole 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 5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 70890191) is 5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nn1Cc1ccc(N2CCNCC2)nc1.
What is the InChIKey of 5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is HEIAIJKAUSPMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O/c1-15-12-19(22-29-21(31-34-22)17-3-5-18(6-4-17)23(24,25)26)30-33(15)14-16-2-7-20(28-13-16)32-10-8-27-9-11-32/h2-7,12-13,27H,8-11,14H2,1H3.
What are the key properties of 5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 469.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-1-[(6-piperazin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 70890191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).