3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one

C21H26F3N5O3 — CID 171632220

About 3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 171632220) has the molecular formula C21H26F3N5O3 and a molecular weight of 453.47 g/mol. Its IUPAC name is 3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
• PubChem CID: 171632220
• Molecular Formula: C21H26F3N5O3
• Molecular Weight: 453.47 g/mol
• Exact Mass: 453.20
• IUPAC Name: 3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
• SMILES: CC[C@@H](C)[C@H](Nc1nnc(-c2ccc(C(F)(F)F)[nH]c2=O)o1)C(=O)N1CCC2(CC1)CC2
• InChI: InChI=1S/C21H26F3N5O3/c1-3-12(2)15(18(31)29-10-8-20(6-7-20)9-11-29)26-19-28-27-17(32-19)13-4-5-14(21(22,23)24)25-16(13)30/h4-5,12,15H,3,6-11H2,1-2H3,(H,25,30)(H,26,28)/t12-,15+/m1/s1
• InChIKey: OUKJKIAICCZYDO-DOMZBBRYSA-N
• XLogP: 3.67
• TPSA: 104.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.47
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?

The IUPAC name of 3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 171632220) is 3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one.

What is the SMILES notation for 3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?

The canonical SMILES for 3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one is CC[C@@H](C)[C@H](Nc1nnc(-c2ccc(C(F)(F)F)[nH]c2=O)o1)C(=O)N1CCC2(CC1)CC2.

What is the InChIKey of 3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?

The InChIKey is OUKJKIAICCZYDO-DOMZBBRYSA-N. The full InChI is InChI=1S/C21H26F3N5O3/c1-3-12(2)15(18(31)29-10-8-20(6-7-20)9-11-29)26-19-28-27-17(32-19)13-4-5-14(21(22,23)24)25-16(13)30/h4-5,12,15H,3,6-11H2,1-2H3,(H,25,30)(H,26,28)/t12-,15+/m1/s1.

What are the key properties of 3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?

3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 453.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 171632220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).