3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid

C21H19FN4O4 — CID 44547019

IUPAC3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid
SMILESCC(C)Oc1ncc(-c2nc(-c3ccc4c(CCC(=O)O)c[nH]c4c3)no2)cc1F
InChIInChI=1S/C21H19FN4O4/c1-11(2)29-21-16(22)7-14(10-24-21)20-25-19(26-30-20)12-3-5-15-13(4-6-18(27)28)9-23-17(15)8-12/h3,5,7-11,23H,4,6H2,1-2H3,(H,27,28)
InChIKeyZECVSMWAXICNGE-UHFFFAOYSA-N
MW410.41 g/mol
LogP4.22
Rot. Bonds7

About 3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid

3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid (PubChem CID 44547019) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is 3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid
PubChem CID44547019
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid
SMILESCC(C)Oc1ncc(-c2nc(-c3ccc4c(CCC(=O)O)c[nH]c4c3)no2)cc1F
InChIInChI=1S/C21H19FN4O4/c1-11(2)29-21-16(22)7-14(10-24-21)20-25-19(26-30-20)12-3-5-15-13(4-6-18(27)28)9-23-17(15)8-12/h3,5,7-11,23H,4,6H2,1-2H3,(H,27,28)
InChIKeyZECVSMWAXICNGE-UHFFFAOYSA-N
XLogP4.22
TPSA114.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic 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 3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid?
The IUPAC name of 3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid (CID 44547019) is 3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid.
What is the SMILES notation for 3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid?
The canonical SMILES for 3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid is CC(C)Oc1ncc(-c2nc(-c3ccc4c(CCC(=O)O)c[nH]c4c3)no2)cc1F.
What is the InChIKey of 3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid?
The InChIKey is ZECVSMWAXICNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4/c1-11(2)29-21-16(22)7-14(10-24-21)20-25-19(26-30-20)12-3-5-15-13(4-6-18(27)28)9-23-17(15)8-12/h3,5,7-11,23H,4,6H2,1-2H3,(H,27,28).
What are the key properties of 3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid?
3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid has a molecular weight of 410.41 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid is sourced from PubChem (CID 44547019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).