[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone

C19H25F3N6O3S — CID 170565906

IUPAC[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone
SMILESO=C(N1CC2(CC(n3cnc(C4CC4)n3)C2)C1)N1CC2(C1)CN(S(=O)(=O)CC(F)(F)F)C2
InChIInChI=1S/C19H25F3N6O3S/c20-19(21,22)11-32(30,31)27-9-18(10-27)7-26(8-18)16(29)25-5-17(6-25)3-14(4-17)28-12-23-15(24-28)13-1-2-13/h12-14H,1-11H2
InChIKeyAPDLOXTTZVXQEX-UHFFFAOYSA-N
MW474.51 g/mol
LogP1.42
Rot. Bonds4

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone (PubChem CID 170565906) has the molecular formula C19H25F3N6O3S and a molecular weight of 474.51 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone.

Molecular Properties

Compound Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone
PubChem CID170565906
Molecular FormulaC19H25F3N6O3S
Molecular Weight474.51 g/mol
Exact Mass474.17
IUPAC Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone
SMILESO=C(N1CC2(CC(n3cnc(C4CC4)n3)C2)C1)N1CC2(C1)CN(S(=O)(=O)CC(F)(F)F)C2
InChIInChI=1S/C19H25F3N6O3S/c20-19(21,22)11-32(30,31)27-9-18(10-27)7-26(8-18)16(29)25-5-17(6-25)3-14(4-17)28-12-23-15(24-28)13-1-2-13/h12-14H,1-11H2
InChIKeyAPDLOXTTZVXQEX-UHFFFAOYSA-N
XLogP1.42
TPSA91.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone with MolForge

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Related Compounds

[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]sulfonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone
CID 170565597
1-[2-[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2,2,2-trifluoroethanone
CID 170565649
6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2,6-diazaspiro[3.3]heptane-2-sulfonamide
CID 170565657
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(trifluoromethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone
CID 170565790
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]sulfonyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 170565873
6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2,6-diazaspiro[3.3]heptane-2-sulfonamide
CID 170565963
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-lambda4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone
CID 166083916
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone
CID 170565616
N-[2-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide
CID 170565720
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1-methylcyclopropyl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone
CID 170565732
[2-(Cyclohexylmethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
CID 170565738
6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide
CID 170565799

Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone (CID 170565906) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone.
What is the SMILES notation for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone is O=C(N1CC2(CC(n3cnc(C4CC4)n3)C2)C1)N1CC2(C1)CN(S(=O)(=O)CC(F)(F)F)C2.
What is the InChIKey of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
The InChIKey is APDLOXTTZVXQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N6O3S/c20-19(21,22)11-32(30,31)27-9-18(10-27)7-26(8-18)16(29)25-5-17(6-25)3-14(4-17)28-12-23-15(24-28)13-1-2-13/h12-14H,1-11H2.
What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone has a molecular weight of 474.51 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone is sourced from PubChem (CID 170565906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).