[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone

C24H30F3N7OS — CID 169104648

IUPAC[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(N1CC2(CCN(Cc3cc(C(F)(F)F)sn3)CC2)C1)N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1
InChIInChI=1S/C24H30F3N7OS/c25-24(26,27)18-7-17(31-36-18)10-32-5-3-22(4-6-32)11-33(12-22)21(35)34-13-23(14-34)8-16(9-23)20-28-19(29-30-20)15-1-2-15/h7,15-16H,1-6,8-14H2,(H,28,29,30)
InChIKeyMLNVHLQKKSWOSX-UHFFFAOYSA-N
MW521.61 g/mol
LogP4.05
Rot. Bonds4

About [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone

[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone (PubChem CID 169104648) has the molecular formula C24H30F3N7OS and a molecular weight of 521.61 g/mol. Its IUPAC name is [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
PubChem CID169104648
Molecular FormulaC24H30F3N7OS
Molecular Weight521.61 g/mol
Exact Mass521.22
IUPAC Name[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(N1CC2(CCN(Cc3cc(C(F)(F)F)sn3)CC2)C1)N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1
InChIInChI=1S/C24H30F3N7OS/c25-24(26,27)18-7-17(31-36-18)10-32-5-3-22(4-6-32)11-33(12-22)21(35)34-13-23(14-34)8-16(9-23)20-28-19(29-30-20)15-1-2-15/h7,15-16H,1-6,8-14H2,(H,28,29,30)
InChIKeyMLNVHLQKKSWOSX-UHFFFAOYSA-N
XLogP4.05
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.61
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-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

[6-[5-(3,3-difluorocyclobutyl)-1H-1,2,4-triazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(trifluoromethyl)-1,2-thiazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 169104437
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 169104500
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 169105052
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(trifluoromethyl)-1,2-thiazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 169105071
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 169105124
[6-[3-(1-fluorocyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(trifluoromethyl)-1,2-thiazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 169105215
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 169105607
[7-[[5-(Trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 171533001
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 171533005
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(trifluoromethyl)-1,2-thiazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 171533033
[6-[3-(1-Hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 171533160
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 171533339

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]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone (CID 169104648) is [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-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]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone is O=C(N1CC2(CCN(Cc3cc(C(F)(F)F)sn3)CC2)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]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is MLNVHLQKKSWOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N7OS/c25-24(26,27)18-7-17(31-36-18)10-32-5-3-22(4-6-32)11-33(12-22)21(35)34-13-23(14-34)8-16(9-23)20-28-19(29-30-20)15-1-2-15/h7,15-16H,1-6,8-14H2,(H,28,29,30).
What are the key properties of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 521.61 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-[7-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 169104648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).