3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid

C24H23ClN4O4 — CID 175328821

About 3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid

3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid (PubChem CID 175328821) has the molecular formula C24H23ClN4O4 and a molecular weight of 466.93 g/mol. Its IUPAC name is 3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid
• PubChem CID: 175328821
• Molecular Formula: C24H23ClN4O4
• Molecular Weight: 466.93 g/mol
• Exact Mass: 466.14
• IUPAC Name: 3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid
• SMILES: CC(C)Oc1ncc(-c2nc(-c3cccc4c3c3c(n4CCC(=O)O)CCC3)no2)cc1Cl
• InChI: InChI=1S/C24H23ClN4O4/c1-13(2)32-24-17(25)11-14(12-26-24)23-27-22(28-33-23)16-6-4-8-19-21(16)15-5-3-7-18(15)29(19)10-9-20(30)31/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3,(H,30,31)
• InChIKey: ALDWNYLPSZNJTF-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 103.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.93
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid?

The IUPAC name of 3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid (CID 175328821) is 3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid.

What is the SMILES notation for 3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid?

The canonical SMILES for 3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid is CC(C)Oc1ncc(-c2nc(-c3cccc4c3c3c(n4CCC(=O)O)CCC3)no2)cc1Cl.

What is the InChIKey of 3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid?

The InChIKey is ALDWNYLPSZNJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4/c1-13(2)32-24-17(25)11-14(12-26-24)23-27-22(28-33-23)16-6-4-8-19-21(16)15-5-3-7-18(15)29(19)10-9-20(30)31/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3,(H,30,31).

What are the key properties of 3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid?

3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid has a molecular weight of 466.93 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]propanoic acid is sourced from PubChem (CID 175328821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).