[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

C22H25F6N7OS — CID 171533001

IUPAC[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
SMILESO=C(N1CC2(CCN(Cc3cc(C(F)(F)F)sn3)CC2)C1)N1CC2(CC(n3cnc(C(F)(F)F)n3)C2)C1
InChIInChI=1S/C22H25F6N7OS/c23-21(24,25)16-5-14(31-37-16)8-32-3-1-19(2-4-32)9-33(10-19)18(36)34-11-20(12-34)6-15(7-20)35-13-29-17(30-35)22(26,27)28/h5,13,15H,1-4,6-12H2
InChIKeyLDOSHZSPGNFCAL-UHFFFAOYSA-N
MW549.55 g/mol
LogP4.13
Rot. Bonds3

About [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

[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 (PubChem CID 171533001) has the molecular formula C22H25F6N7OS and a molecular weight of 549.55 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID171533001
Molecular FormulaC22H25F6N7OS
Molecular Weight549.55 g/mol
Exact Mass549.17
IUPAC Name[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
SMILESO=C(N1CC2(CCN(Cc3cc(C(F)(F)F)sn3)CC2)C1)N1CC2(CC(n3cnc(C(F)(F)F)n3)C2)C1
InChIInChI=1S/C22H25F6N7OS/c23-21(24,25)16-5-14(31-37-16)8-32-3-1-19(2-4-32)9-33(10-19)18(36)34-11-20(12-34)6-15(7-20)35-13-29-17(30-35)22(26,27)28/h5,13,15H,1-4,6-12H2
InChIKeyLDOSHZSPGNFCAL-UHFFFAOYSA-N
XLogP4.13
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.55
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=C(N1CC2(CCN(Cc3cc(C(F)(F)F)sn3)CC2)C1)N1CC2(CC(n3cnc(C(F)(F)F)n3)C2)C1.
What is the InChIKey of [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?
The InChIKey is LDOSHZSPGNFCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F6N7OS/c23-21(24,25)16-5-14(31-37-16)8-32-3-1-19(2-4-32)9-33(10-19)18(36)34-11-20(12-34)6-15(7-20)35-13-29-17(30-35)22(26,27)28/h5,13,15H,1-4,6-12H2.
What are the key properties of [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?
[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 has a molecular weight of 549.55 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 171533001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).