[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

C24H30F3N7O2S — CID 171533160

IUPAC[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
SMILESO=C(N1CC2(CCN(Cc3cc(C(F)(F)F)sn3)CC2)C1)N1CC2(CC(n3cnc(C4(O)CC4)n3)C2)C1
InChIInChI=1S/C24H30F3N7O2S/c25-24(26,27)18-7-16(30-37-18)10-31-5-3-21(4-6-31)11-32(12-21)20(35)33-13-22(14-33)8-17(9-22)34-15-28-19(29-34)23(36)1-2-23/h7,15,17,36H,1-6,8-14H2
InChIKeyDHMKZBFPQMWTIZ-UHFFFAOYSA-N
MW537.61 g/mol
LogP3.09
Rot. Bonds4

About [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

[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 (PubChem CID 171533160) has the molecular formula C24H30F3N7O2S and a molecular weight of 537.61 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID171533160
Molecular FormulaC24H30F3N7O2S
Molecular Weight537.61 g/mol
Exact Mass537.21
IUPAC Name[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
SMILESO=C(N1CC2(CCN(Cc3cc(C(F)(F)F)sn3)CC2)C1)N1CC2(CC(n3cnc(C4(O)CC4)n3)C2)C1
InChIInChI=1S/C24H30F3N7O2S/c25-24(26,27)18-7-16(30-37-18)10-31-5-3-21(4-6-31)11-32(12-21)20(35)33-13-22(14-33)8-17(9-22)34-15-28-19(29-34)23(36)1-2-23/h7,15,17,36H,1-6,8-14H2
InChIKeyDHMKZBFPQMWTIZ-UHFFFAOYSA-N
XLogP3.09
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.61
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=C(N1CC2(CCN(Cc3cc(C(F)(F)F)sn3)CC2)C1)N1CC2(CC(n3cnc(C4(O)CC4)n3)C2)C1.
What is the InChIKey of [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?
The InChIKey is DHMKZBFPQMWTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N7O2S/c25-24(26,27)18-7-16(30-37-18)10-31-5-3-21(4-6-31)11-32(12-21)20(35)33-13-22(14-33)8-17(9-22)34-15-28-19(29-34)23(36)1-2-23/h7,15,17,36H,1-6,8-14H2.
What are the key properties of [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?
[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 has a molecular weight of 537.61 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 171533160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).