6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane

C18H25F3N4O3S — CID 169144234

IUPAC6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC2(CC1)CC(N1CC3(COC3)C1)C2
InChIInChI=1S/C18H25F3N4O3S/c1-23-15(6-14(22-23)18(19,20)21)29(26,27)25-4-2-16(3-5-25)7-13(8-16)24-9-17(10-24)11-28-12-17/h6,13H,2-5,7-12H2,1H3
InChIKeyGGSFKUJVOJLQLQ-UHFFFAOYSA-N
MW434.48 g/mol
LogP1.70
Rot. Bonds3

About 6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane

6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 169144234) has the molecular formula C18H25F3N4O3S and a molecular weight of 434.48 g/mol. Its IUPAC name is 6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID169144234
Molecular FormulaC18H25F3N4O3S
Molecular Weight434.48 g/mol
Exact Mass434.16
IUPAC Name6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC2(CC1)CC(N1CC3(COC3)C1)C2
InChIInChI=1S/C18H25F3N4O3S/c1-23-15(6-14(22-23)18(19,20)21)29(26,27)25-4-2-16(3-5-25)7-13(8-16)24-9-17(10-24)11-28-12-17/h6,13H,2-5,7-12H2,1H3
InChIKeyGGSFKUJVOJLQLQ-UHFFFAOYSA-N
XLogP1.70
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane (CID 169144234) is 6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane is Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC2(CC1)CC(N1CC3(COC3)C1)C2.
What is the InChIKey of 6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is GGSFKUJVOJLQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O3S/c1-23-15(6-14(22-23)18(19,20)21)29(26,27)25-4-2-16(3-5-25)7-13(8-16)24-9-17(10-24)11-28-12-17/h6,13H,2-5,7-12H2,1H3.
What are the key properties of 6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 434.48 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 169144234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).