3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid

C28H34N6O4 — CID 175471441

About 3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid

3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid (PubChem CID 175471441) has the molecular formula C28H34N6O4 and a molecular weight of 518.62 g/mol. Its IUPAC name is 3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid.

Molecular Properties

• Compound Name: 3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid
• PubChem CID: 175471441
• Molecular Formula: C28H34N6O4
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.26
• IUPAC Name: 3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid
• SMILES: CC(C)Oc1ncc(-c2nc(N3CCc4cc(C(C)(NCCC(=O)O)C(C)(C)C)ccc43)no2)cc1C#N
• InChI: InChI=1S/C28H34N6O4/c1-17(2)37-24-19(15-29)13-20(16-30-24)25-32-26(33-38-25)34-12-10-18-14-21(7-8-22(18)34)28(6,27(3,4)5)31-11-9-23(35)36/h7-8,13-14,16-17,31H,9-12H2,1-6H3,(H,35,36)
• InChIKey: MEWQVARKVGHFRR-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 137.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid?

The IUPAC name of 3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid (CID 175471441) is 3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid.

What is the SMILES notation for 3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid?

The canonical SMILES for 3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid is CC(C)Oc1ncc(-c2nc(N3CCc4cc(C(C)(NCCC(=O)O)C(C)(C)C)ccc43)no2)cc1C#N.

What is the InChIKey of 3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid?

The InChIKey is MEWQVARKVGHFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O4/c1-17(2)37-24-19(15-29)13-20(16-30-24)25-32-26(33-38-25)34-12-10-18-14-21(7-8-22(18)34)28(6,27(3,4)5)31-11-9-23(35)36/h7-8,13-14,16-17,31H,9-12H2,1-6H3,(H,35,36).

What are the key properties of 3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid?

3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid has a molecular weight of 518.62 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[1-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutan-2-yl]amino]propanoic acid is sourced from PubChem (CID 175471441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).