(3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone

C23H23FN6O2 — CID 134477791

IUPAC(3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
SMILESCC(C)n1ncc2ccc(-c3noc(N4CCN(C(=O)c5cccc(F)c5)CC4)n3)cc21
InChIInChI=1S/C23H23FN6O2/c1-15(2)30-20-13-16(6-7-18(20)14-25-30)21-26-23(32-27-21)29-10-8-28(9-11-29)22(31)17-4-3-5-19(24)12-17/h3-7,12-15H,8-11H2,1-2H3
InChIKeyFAYUEBVGYVHFNI-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.77
Rot. Bonds4

About (3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone

(3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone (PubChem CID 134477791) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
PubChem CID134477791
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name(3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
SMILESCC(C)n1ncc2ccc(-c3noc(N4CCN(C(=O)c5cccc(F)c5)CC4)n3)cc21
InChIInChI=1S/C23H23FN6O2/c1-15(2)30-20-13-16(6-7-18(20)14-25-30)21-26-23(32-27-21)29-10-8-28(9-11-29)22(31)17-4-3-5-19(24)12-17/h3-7,12-15H,8-11H2,1-2H3
InChIKeyFAYUEBVGYVHFNI-UHFFFAOYSA-N
XLogP3.77
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]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

[3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 22581254
4-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346182
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53032681
(1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 134478198
(3-methyloxolan-3-yl)-[4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
CID 134477741
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
(3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
CID 110396546
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 50828707
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol
CID 155066594
3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one
CID 53131472

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone (CID 134477791) is (3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone is CC(C)n1ncc2ccc(-c3noc(N4CCN(C(=O)c5cccc(F)c5)CC4)n3)cc21.
What is the InChIKey of (3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
The InChIKey is FAYUEBVGYVHFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-15(2)30-20-13-16(6-7-18(20)14-25-30)21-26-23(32-27-21)29-10-8-28(9-11-29)22(31)17-4-3-5-19(24)12-17/h3-7,12-15H,8-11H2,1-2H3.
What are the key properties of (3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone has a molecular weight of 434.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 134477791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).