ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate

C24H22FN5O4 — CID 59146067

About ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate

ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate (PubChem CID 59146067) has the molecular formula C24H22FN5O4 and a molecular weight of 463.47 g/mol. Its IUPAC name is ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate.

Molecular Properties

• Compound Name: ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate
• PubChem CID: 59146067
• Molecular Formula: C24H22FN5O4
• Molecular Weight: 463.47 g/mol
• Exact Mass: 463.17
• IUPAC Name: ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate
• SMILES: CCOC(=O)CCc1c[nH]c2c(-c3noc(-c4cnc(OC(C)C)c(C#N)c4)n3)ccc(F)c12
• InChI: InChI=1S/C24H22FN5O4/c1-4-32-19(31)8-5-14-11-27-21-17(6-7-18(25)20(14)21)22-29-24(34-30-22)16-9-15(10-26)23(28-12-16)33-13(2)3/h6-7,9,11-13,27H,4-5,8H2,1-3H3
• InChIKey: JHDVDYUVDGPWQQ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 126.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.47
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate?

The IUPAC name of ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate (CID 59146067) is ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate.

What is the SMILES notation for ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate?

The canonical SMILES for ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate is CCOC(=O)CCc1c[nH]c2c(-c3noc(-c4cnc(OC(C)C)c(C#N)c4)n3)ccc(F)c12.

What is the InChIKey of ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate?

The InChIKey is JHDVDYUVDGPWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O4/c1-4-32-19(31)8-5-14-11-27-21-17(6-7-18(25)20(14)21)22-29-24(34-30-22)16-9-15(10-26)23(28-12-16)33-13(2)3/h6-7,9,11-13,27H,4-5,8H2,1-3H3.

What are the key properties of ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate?

ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate has a molecular weight of 463.47 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[7-[5-(5-cyano-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoate is sourced from PubChem (CID 59146067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).