3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole

C15H13F3N6O — CID 58267458

IUPAC3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1nn(Cc2nc(-c3ncccn3)no2)c2c1CCCC2
InChIInChI=1S/C15H13F3N6O/c16-15(17,18)12-9-4-1-2-5-10(9)24(22-12)8-11-21-14(23-25-11)13-19-6-3-7-20-13/h3,6-7H,1-2,4-5,8H2
InChIKeyANSFUWZRFSXMBV-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.67
Rot. Bonds3

About 3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole

3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 58267458) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is 3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID58267458
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC Name3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1nn(Cc2nc(-c3ncccn3)no2)c2c1CCCC2
InChIInChI=1S/C15H13F3N6O/c16-15(17,18)12-9-4-1-2-5-10(9)24(22-12)8-11-21-14(23-25-11)13-19-6-3-7-20-13/h3,6-7H,1-2,4-5,8H2
InChIKeyANSFUWZRFSXMBV-UHFFFAOYSA-N
XLogP2.67
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-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 3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole (CID 58267458) is 3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole is FC(F)(F)c1nn(Cc2nc(-c3ncccn3)no2)c2c1CCCC2.
What is the InChIKey of 3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ANSFUWZRFSXMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O/c16-15(17,18)12-9-4-1-2-5-10(9)24(22-12)8-11-21-14(23-25-11)13-19-6-3-7-20-13/h3,6-7H,1-2,4-5,8H2.
What are the key properties of 3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole?
3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 350.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-yl-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 58267458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).