2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone

C26H36FN7O2 — CID 140634985

About 2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone

2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 140634985) has the molecular formula C26H36FN7O2 and a molecular weight of 497.62 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone
• PubChem CID: 140634985
• Molecular Formula: C26H36FN7O2
• Molecular Weight: 497.62 g/mol
• Exact Mass: 497.29
• IUPAC Name: 2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone
• SMILES: CC(C)c1nn(-c2noc(C3CCN(C4CCN(C(=O)CN(C)C)CC4)CC3)n2)c2c(F)cccc12
• InChI: InChI=1S/C26H36FN7O2/c1-17(2)23-20-6-5-7-21(27)24(20)34(29-23)26-28-25(36-30-26)18-8-12-32(13-9-18)19-10-14-33(15-11-19)22(35)16-31(3)4/h5-7,17-19H,8-16H2,1-4H3
• InChIKey: GPYIDZYHHYUYLJ-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 83.53 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.62
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone (CID 140634985) is 2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone is CC(C)c1nn(-c2noc(C3CCN(C4CCN(C(=O)CN(C)C)CC4)CC3)n2)c2c(F)cccc12.

What is the InChIKey of 2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone?

The InChIKey is GPYIDZYHHYUYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN7O2/c1-17(2)23-20-6-5-7-21(27)24(20)34(29-23)26-28-25(36-30-26)18-8-12-32(13-9-18)19-10-14-33(15-11-19)22(35)16-31(3)4/h5-7,17-19H,8-16H2,1-4H3.

What are the key properties of 2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone?

2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 497.62 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 140634985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).