6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane

C20H26F3N3O3S — CID 169144217

IUPAC6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCc1cc(C(F)(F)F)ncc1S(=O)(=O)N1CCC2(CC1)CC(N1CC3(COC3)C1)C2
InChIInChI=1S/C20H26F3N3O3S/c1-14-6-17(20(21,22)23)24-9-16(14)30(27,28)26-4-2-18(3-5-26)7-15(8-18)25-10-19(11-25)12-29-13-19/h6,9,15H,2-5,7-8,10-13H2,1H3
InChIKeyHWJRNLRJURILRI-UHFFFAOYSA-N
MW445.51 g/mol
LogP2.67
Rot. Bonds3

About 6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane

6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 169144217) has the molecular formula C20H26F3N3O3S and a molecular weight of 445.51 g/mol. Its IUPAC name is 6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID169144217
Molecular FormulaC20H26F3N3O3S
Molecular Weight445.51 g/mol
Exact Mass445.16
IUPAC Name6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCc1cc(C(F)(F)F)ncc1S(=O)(=O)N1CCC2(CC1)CC(N1CC3(COC3)C1)C2
InChIInChI=1S/C20H26F3N3O3S/c1-14-6-17(20(21,22)23)24-9-16(14)30(27,28)26-4-2-18(3-5-26)7-15(8-18)25-10-19(11-25)12-29-13-19/h6,9,15H,2-5,7-8,10-13H2,1H3
InChIKeyHWJRNLRJURILRI-UHFFFAOYSA-N
XLogP2.67
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane 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-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane (CID 169144217) is 6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane is Cc1cc(C(F)(F)F)ncc1S(=O)(=O)N1CCC2(CC1)CC(N1CC3(COC3)C1)C2.
What is the InChIKey of 6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is HWJRNLRJURILRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O3S/c1-14-6-17(20(21,22)23)24-9-16(14)30(27,28)26-4-2-18(3-5-26)7-15(8-18)25-10-19(11-25)12-29-13-19/h6,9,15H,2-5,7-8,10-13H2,1H3.
What are the key properties of 6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 445.51 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 169144217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).