3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one

C19H18F5N5O3 — CID 174253512

IUPAC3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C([C@H](Nc1nnc(-c2ccc(C(F)(F)F)[nH]c2=O)o1)C1CC1)N1CC[C@]2(C1)CC2(F)F
InChIInChI=1S/C19H18F5N5O3/c20-18(21)7-17(18)5-6-29(8-17)15(31)12(9-1-2-9)26-16-28-27-14(32-16)10-3-4-11(19(22,23)24)25-13(10)30/h3-4,9,12H,1-2,5-8H2,(H,25,30)(H,26,28)/t12-,17-/m1/s1
InChIKeyGUDARHYGMAUYPP-SJKOYZFVSA-N
MW459.38 g/mol
LogP2.89
Rot. Bonds5

About 3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 174253512) has the molecular formula C19H18F5N5O3 and a molecular weight of 459.38 g/mol. Its IUPAC name is 3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID174253512
Molecular FormulaC19H18F5N5O3
Molecular Weight459.38 g/mol
Exact Mass459.13
IUPAC Name3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C([C@H](Nc1nnc(-c2ccc(C(F)(F)F)[nH]c2=O)o1)C1CC1)N1CC[C@]2(C1)CC2(F)F
InChIInChI=1S/C19H18F5N5O3/c20-18(21)7-17(18)5-6-29(8-17)15(31)12(9-1-2-9)26-16-28-27-14(32-16)10-3-4-11(19(22,23)24)25-13(10)30/h3-4,9,12H,1-2,5-8H2,(H,25,30)(H,26,28)/t12-,17-/m1/s1
InChIKeyGUDARHYGMAUYPP-SJKOYZFVSA-N
XLogP2.89
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

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Related Compounds

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
3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 174253316
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone
CID 171632324
(2R)-2-[[5-(7-chloro-2H-benzotriazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]butan-1-one
CID 171631793
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
(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]butan-1-one
CID 174251433
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 171632339
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[6-chloro-2-(difluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632260
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631840
N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 63294748
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 174249199
(2R,3S)-1-(5-azaspiro[2.4]heptan-5-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-hydroxybutan-1-one
CID 178127846

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 174253512) is 3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one is O=C([C@H](Nc1nnc(-c2ccc(C(F)(F)F)[nH]c2=O)o1)C1CC1)N1CC[C@]2(C1)CC2(F)F.
What is the InChIKey of 3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is GUDARHYGMAUYPP-SJKOYZFVSA-N. The full InChI is InChI=1S/C19H18F5N5O3/c20-18(21)7-17(18)5-6-29(8-17)15(31)12(9-1-2-9)26-16-28-27-14(32-16)10-3-4-11(19(22,23)24)25-13(10)30/h3-4,9,12H,1-2,5-8H2,(H,25,30)(H,26,28)/t12-,17-/m1/s1.
What are the key properties of 3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 459.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(1R)-1-cyclopropyl-2-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 174253512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).