[7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

C23H26F6N6O2 — CID 170756255

IUPAC[7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC(c1nc(C2CN(C)CC23CN(C(=O)C2(C(F)(F)F)CC2)C3)no1)n1ccc(C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C23H26F6N6O2/c1-13(35-8-3-15(31-35)20(4-5-20)22(24,25)26)17-30-16(32-37-17)14-9-33(2)10-19(14)11-34(12-19)18(36)21(6-7-21)23(27,28)29/h3,8,13-14H,4-7,9-12H2,1-2H3
InChIKeyLHVYGLDJBAVXER-UHFFFAOYSA-N
MW532.49 g/mol
LogP3.67
Rot. Bonds5

About [7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

[7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 170756255) has the molecular formula C23H26F6N6O2 and a molecular weight of 532.49 g/mol. Its IUPAC name is [7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID170756255
Molecular FormulaC23H26F6N6O2
Molecular Weight532.49 g/mol
Exact Mass532.20
IUPAC Name[7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC(c1nc(C2CN(C)CC23CN(C(=O)C2(C(F)(F)F)CC2)C3)no1)n1ccc(C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C23H26F6N6O2/c1-13(35-8-3-15(31-35)20(4-5-20)22(24,25)26)17-30-16(32-37-17)14-9-33(2)10-19(14)11-34(12-19)18(36)21(6-7-21)23(27,28)29/h3,8,13-14H,4-7,9-12H2,1-2H3
InChIKeyLHVYGLDJBAVXER-UHFFFAOYSA-N
XLogP3.67
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of [7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (CID 170756255) is [7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for [7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for [7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is CC(c1nc(C2CN(C)CC23CN(C(=O)C2(C(F)(F)F)CC2)C3)no1)n1ccc(C2(C(F)(F)F)CC2)n1.
What is the InChIKey of [7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is LHVYGLDJBAVXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F6N6O2/c1-13(35-8-3-15(31-35)20(4-5-20)22(24,25)26)17-30-16(32-37-17)14-9-33(2)10-19(14)11-34(12-19)18(36)21(6-7-21)23(27,28)29/h3,8,13-14H,4-7,9-12H2,1-2H3.
What are the key properties of [7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
[7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 532.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-5-[5-[1-[3-[1-(trifluoromethyl)cyclopropyl]pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 170756255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).