3-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid

C22H22N4O5 — CID 44547608

IUPAC3-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid
SMILESCOc1cc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cnc1OC(C)C
InChIInChI=1S/C22H22N4O5/c1-12(2)30-22-17(29-3)9-14(11-24-22)21-25-20(26-31-21)16-6-4-5-15-13(7-8-18(27)28)10-23-19(15)16/h4-6,9-12,23H,7-8H2,1-3H3,(H,27,28)
InChIKeySVPSZQCGHLZVAS-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.09
Rot. Bonds8

About 3-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid

3-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid (PubChem CID 44547608) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is 3-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid
PubChem CID44547608
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name3-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid
SMILESCOc1cc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cnc1OC(C)C
InChIInChI=1S/C22H22N4O5/c1-12(2)30-22-17(29-3)9-14(11-24-22)21-25-20(26-31-21)16-6-4-5-15-13(7-8-18(27)28)10-23-19(15)16/h4-6,9-12,23H,7-8H2,1-3H3,(H,27,28)
InChIKeySVPSZQCGHLZVAS-UHFFFAOYSA-N
XLogP4.09
TPSA123.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[7-[5-(5-methoxy-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-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid?
The IUPAC name of 3-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid (CID 44547608) is 3-[7-[5-(5-methoxy-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-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid?
The canonical SMILES for 3-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid is COc1cc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cnc1OC(C)C.
What is the InChIKey of 3-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid?
The InChIKey is SVPSZQCGHLZVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-12(2)30-22-17(29-3)9-14(11-24-22)21-25-20(26-31-21)16-6-4-5-15-13(7-8-18(27)28)10-23-19(15)16/h4-6,9-12,23H,7-8H2,1-3H3,(H,27,28).
What are the key properties of 3-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid?
3-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid has a molecular weight of 422.44 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[5-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid is sourced from PubChem (CID 44547608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).