3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid

C26H25N5O5 — CID 167297675

IUPAC3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid
SMILESCC(C)Oc1ncc(-c2nc(-c3cccc4c3CCC43CC(=O)N(CCC(=O)O)C3)no2)cc1C#N
InChIInChI=1S/C26H25N5O5/c1-15(2)35-24-16(12-27)10-17(13-28-24)25-29-23(30-36-25)19-4-3-5-20-18(19)6-8-26(20)11-21(32)31(14-26)9-7-22(33)34/h3-5,10,13,15H,6-9,11,14H2,1-2H3,(H,33,34)
InChIKeyJQIYOOHRLCDESM-UHFFFAOYSA-N
MW487.52 g/mol
LogP3.35
Rot. Bonds7

About 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid

3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid (PubChem CID 167297675) has the molecular formula C26H25N5O5 and a molecular weight of 487.52 g/mol. Its IUPAC name is 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid.

Molecular Properties

Compound Name3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid
PubChem CID167297675
Molecular FormulaC26H25N5O5
Molecular Weight487.52 g/mol
Exact Mass487.19
IUPAC Name3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid
SMILESCC(C)Oc1ncc(-c2nc(-c3cccc4c3CCC43CC(=O)N(CCC(=O)O)C3)no2)cc1C#N
InChIInChI=1S/C26H25N5O5/c1-15(2)35-24-16(12-27)10-17(13-28-24)25-29-23(30-36-25)19-4-3-5-20-18(19)6-8-26(20)11-21(32)31(14-26)9-7-22(33)34/h3-5,10,13,15H,6-9,11,14H2,1-2H3,(H,33,34)
InChIKeyJQIYOOHRLCDESM-UHFFFAOYSA-N
XLogP3.35
TPSA142.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid?
The IUPAC name of 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid (CID 167297675) is 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid.
What is the SMILES notation for 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid?
The canonical SMILES for 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid is CC(C)Oc1ncc(-c2nc(-c3cccc4c3CCC43CC(=O)N(CCC(=O)O)C3)no2)cc1C#N.
What is the InChIKey of 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid?
The InChIKey is JQIYOOHRLCDESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O5/c1-15(2)35-24-16(12-27)10-17(13-28-24)25-29-23(30-36-25)19-4-3-5-20-18(19)6-8-26(20)11-21(32)31(14-26)9-7-22(33)34/h3-5,10,13,15H,6-9,11,14H2,1-2H3,(H,33,34).
What are the key properties of 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid?
3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid has a molecular weight of 487.52 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]propanoic acid is sourced from PubChem (CID 167297675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).