6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane

C18H26F2N4O3S — CID 169144006

IUPAC6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCn1nc(C(F)F)cc1S(=O)(=O)N1CCC2(CC1)CC(N1CC3(COC3)C1)C2
InChIInChI=1S/C18H26F2N4O3S/c1-22-15(6-14(21-22)16(19)20)28(25,26)24-4-2-17(3-5-24)7-13(8-17)23-9-18(10-23)11-27-12-18/h6,13,16H,2-5,7-12H2,1H3
InChIKeyRGMAJNBENMEIEG-UHFFFAOYSA-N
MW416.49 g/mol
LogP1.62
Rot. Bonds4

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

6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 169144006) has the molecular formula C18H26F2N4O3S and a molecular weight of 416.49 g/mol. Its IUPAC name is 6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID169144006
Molecular FormulaC18H26F2N4O3S
Molecular Weight416.49 g/mol
Exact Mass416.17
IUPAC Name6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCn1nc(C(F)F)cc1S(=O)(=O)N1CCC2(CC1)CC(N1CC3(COC3)C1)C2
InChIInChI=1S/C18H26F2N4O3S/c1-22-15(6-14(21-22)16(19)20)28(25,26)24-4-2-17(3-5-24)7-13(8-17)23-9-18(10-23)11-27-12-18/h6,13,16H,2-5,7-12H2,1H3
InChIKeyRGMAJNBENMEIEG-UHFFFAOYSA-N
XLogP1.62
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfanyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 170121314
4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 170738148
4-[(6S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 174173548
4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 174173595
7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine
CID 169143924
6-[8-(3-fluoro-4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 169144180
[8-(2,5-dimethylpyrazol-3-yl)sulfonyl-3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl] 2,2,2-trifluoroacetate
CID 169144016
3-[7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 176884219
8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 169144154
8-(2-chloro-4-methylphenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 169143945
8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 169143978
(3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane
CID 169143938

Frequently Asked Questions

What is the IUPAC name of 6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane (CID 169144006) is 6-[7-[3-(difluoromethyl)-1-methylpyrazol-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-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane is Cn1nc(C(F)F)cc1S(=O)(=O)N1CCC2(CC1)CC(N1CC3(COC3)C1)C2.
What is the InChIKey of 6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is RGMAJNBENMEIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N4O3S/c1-22-15(6-14(21-22)16(19)20)28(25,26)24-4-2-17(3-5-24)7-13(8-17)23-9-18(10-23)11-27-12-18/h6,13,16H,2-5,7-12H2,1H3.
What are the key properties of 6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 416.49 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 169144006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).