2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid

C21H26FN5O3 — CID 71089507

IUPAC2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid
SMILESCC(C)c1nn(-c2noc(C3CCN(C(C)(C)C(=O)O)CC3)n2)c2c(F)cccc12
InChIInChI=1S/C21H26FN5O3/c1-12(2)16-14-6-5-7-15(22)17(14)27(24-16)20-23-18(30-25-20)13-8-10-26(11-9-13)21(3,4)19(28)29/h5-7,12-13H,8-11H2,1-4H3,(H,28,29)
InChIKeyYDNGLVIWLJTKGZ-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.71
Rot. Bonds5

About 2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid

2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid (PubChem CID 71089507) has the molecular formula C21H26FN5O3 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid
PubChem CID71089507
Molecular FormulaC21H26FN5O3
Molecular Weight415.47 g/mol
Exact Mass415.20
IUPAC Name2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid
SMILESCC(C)c1nn(-c2noc(C3CCN(C(C)(C)C(=O)O)CC3)n2)c2c(F)cccc12
InChIInChI=1S/C21H26FN5O3/c1-12(2)16-14-6-5-7-15(22)17(14)27(24-16)20-23-18(30-25-20)13-8-10-26(11-9-13)21(3,4)19(28)29/h5-7,12-13H,8-11H2,1-4H3,(H,28,29)
InChIKeyYDNGLVIWLJTKGZ-UHFFFAOYSA-N
XLogP3.71
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid 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 2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid (CID 71089507) is 2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid is CC(C)c1nn(-c2noc(C3CCN(C(C)(C)C(=O)O)CC3)n2)c2c(F)cccc12.
What is the InChIKey of 2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid?
The InChIKey is YDNGLVIWLJTKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O3/c1-12(2)16-14-6-5-7-15(22)17(14)27(24-16)20-23-18(30-25-20)13-8-10-26(11-9-13)21(3,4)19(28)29/h5-7,12-13H,8-11H2,1-4H3,(H,28,29).
What are the key properties of 2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid?
2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid has a molecular weight of 415.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 71089507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).