[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone

C20H27F2N5O — CID 177253930

IUPAC[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(CC(CC(F)F)C2)C1)N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1
InChIInChI=1S/C20H27F2N5O/c21-15(22)3-12-4-19(5-12)8-26(9-19)18(28)27-10-20(11-27)6-14(7-20)17-23-16(24-25-17)13-1-2-13/h12-15H,1-11H2,(H,23,24,25)
InChIKeyPVGDMYSLZQHZLR-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.35
Rot. Bonds4

About [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone

[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 177253930) has the molecular formula C20H27F2N5O and a molecular weight of 391.47 g/mol. Its IUPAC name is [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID177253930
Molecular FormulaC20H27F2N5O
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Name[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(CC(CC(F)F)C2)C1)N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1
InChIInChI=1S/C20H27F2N5O/c21-15(22)3-12-4-19(5-12)8-26(9-19)18(28)27-10-20(11-27)6-14(7-20)17-23-16(24-25-17)13-1-2-13/h12-15H,1-11H2,(H,23,24,25)
InChIKeyPVGDMYSLZQHZLR-UHFFFAOYSA-N
XLogP3.35
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(azetidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-5-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole
CID 166083931
1-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2,2,2-trifluoroethanone
CID 169104216
tert-butyl 6-[5-(3,3-difluorocyclobutyl)-1H-1,2,4-triazol-3-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 169104233
[6-[3-(1-fluorocyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[1-(trifluoromethyl)cyclopropyl]methylamino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone
CID 169104267
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169104272
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169104276
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone
CID 169104316
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[[1-(trifluoromethyl)cyclopropyl]methylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169104399
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)azetidin-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169104498
1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(trifluoromethyl)pyrazin-2-one
CID 169104555
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169104629
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-2-azaspiro[3.5]nonan-2-yl]methanone
CID 169104653

Frequently Asked Questions

What is the IUPAC name of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone (CID 177253930) is [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone is O=C(N1CC2(CC(CC(F)F)C2)C1)N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1.
What is the InChIKey of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is PVGDMYSLZQHZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5O/c21-15(22)3-12-4-19(5-12)8-26(9-19)18(28)27-10-20(11-27)6-14(7-20)17-23-16(24-25-17)13-1-2-13/h12-15H,1-11H2,(H,23,24,25).
What are the key properties of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone?
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 177253930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).