[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol

C22H23FN6O2 — CID 155066594

IUPAC[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol
SMILESCc1nn(C)c2cc(-c3noc(N4CCN(C(O)c5cccc(F)c5)CC4)n3)ccc12
InChIInChI=1S/C22H23FN6O2/c1-14-18-7-6-15(13-19(18)27(2)25-14)20-24-22(31-26-20)29-10-8-28(9-11-29)21(30)16-4-3-5-17(23)12-16/h3-7,12-13,21,30H,8-11H2,1-2H3
InChIKeyVCHNCVBVPJEHCQ-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.88
Rot. Bonds4

About [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol

[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol (PubChem CID 155066594) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol
PubChem CID155066594
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol
SMILESCc1nn(C)c2cc(-c3noc(N4CCN(C(O)c5cccc(F)c5)CC4)n3)ccc12
InChIInChI=1S/C22H23FN6O2/c1-14-18-7-6-15(13-19(18)27(2)25-14)20-24-22(31-26-20)29-10-8-28(9-11-29)21(30)16-4-3-5-17(23)12-16/h3-7,12-13,21,30H,8-11H2,1-2H3
InChIKeyVCHNCVBVPJEHCQ-UHFFFAOYSA-N
XLogP2.88
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol 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 [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol?
The IUPAC name of [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol (CID 155066594) is [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol.
What is the SMILES notation for [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol?
The canonical SMILES for [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol is Cc1nn(C)c2cc(-c3noc(N4CCN(C(O)c5cccc(F)c5)CC4)n3)ccc12.
What is the InChIKey of [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol?
The InChIKey is VCHNCVBVPJEHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-14-18-7-6-15(13-19(18)27(2)25-14)20-24-22(31-26-20)29-10-8-28(9-11-29)21(30)16-4-3-5-17(23)12-16/h3-7,12-13,21,30H,8-11H2,1-2H3.
What are the key properties of [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol?
[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol has a molecular weight of 422.46 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol is sourced from PubChem (CID 155066594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).