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

C21H24F3N5O3 — CID 171631867

IUPAC3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESC[C@@H](Nc1nnc(-c2cc(C3CC3)c(C(F)(F)F)[nH]c2=O)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H24F3N5O3/c1-11(18(31)29-8-6-20(4-5-20)7-9-29)25-19-28-27-17(32-19)14-10-13(12-2-3-12)15(21(22,23)24)26-16(14)30/h10-12H,2-9H2,1H3,(H,25,28)(H,26,30)/t11-/m1/s1
InChIKeyOTFOCPIKYAOUBT-LLVKDONJSA-N
MW451.45 g/mol
LogP3.52
Rot. Bonds5

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

3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 171631867) has the molecular formula C21H24F3N5O3 and a molecular weight of 451.45 g/mol. Its IUPAC name is 3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID171631867
Molecular FormulaC21H24F3N5O3
Molecular Weight451.45 g/mol
Exact Mass451.18
IUPAC Name3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESC[C@@H](Nc1nnc(-c2cc(C3CC3)c(C(F)(F)F)[nH]c2=O)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H24F3N5O3/c1-11(18(31)29-8-6-20(4-5-20)7-9-29)25-19-28-27-17(32-19)14-10-13(12-2-3-12)15(21(22,23)24)26-16(14)30/h10-12H,2-9H2,1H3,(H,25,28)(H,26,30)/t11-/m1/s1
InChIKeyOTFOCPIKYAOUBT-LLVKDONJSA-N
XLogP3.52
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one (CID 171631867) is 3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one is C[C@@H](Nc1nnc(-c2cc(C3CC3)c(C(F)(F)F)[nH]c2=O)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of 3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is OTFOCPIKYAOUBT-LLVKDONJSA-N. The full InChI is InChI=1S/C21H24F3N5O3/c1-11(18(31)29-8-6-20(4-5-20)7-9-29)25-19-28-27-17(32-19)14-10-13(12-2-3-12)15(21(22,23)24)26-16(14)30/h10-12H,2-9H2,1H3,(H,25,28)(H,26,30)/t11-/m1/s1.
What are the key properties of 3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 451.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 171631867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).