2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole

C28H32FN5O — CID 134329337

About 2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 134329337) has the molecular formula C28H32FN5O and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
• PubChem CID: 134329337
• Molecular Formula: C28H32FN5O
• Molecular Weight: 473.60 g/mol
• Exact Mass: 473.26
• IUPAC Name: 2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
• SMILES: Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5nnc(C6CC6)o5)CC4)cc3c2C(C)C)c(F)cn1
• InChI: InChI=1S/C28H32FN5O/c1-16(2)26-22-13-20(6-7-24(22)31-27(26)21-12-17(3)30-14-23(21)29)18-8-10-34(11-9-18)15-25-32-33-28(35-25)19-4-5-19/h6-7,12-14,16,18-19,31H,4-5,8-11,15H2,1-3H3
• InChIKey: HTESEUUERFBMGM-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.60
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?

The IUPAC name of 2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 134329337) is 2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5nnc(C6CC6)o5)CC4)cc3c2C(C)C)c(F)cn1.

What is the InChIKey of 2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?

The InChIKey is HTESEUUERFBMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O/c1-16(2)26-22-13-20(6-7-24(22)31-27(26)21-12-17(3)30-14-23(21)29)18-8-10-34(11-9-18)15-25-32-33-28(35-25)19-4-5-19/h6-7,12-14,16,18-19,31H,4-5,8-11,15H2,1-3H3.

What are the key properties of 2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?

2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 473.60 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-5-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 134329337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).