[7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C22H29F3N2O3 — CID 164710402

IUPAC[7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCCC1(Oc2ccc(C(F)(F)F)cn2)CCC2(CC1)CN(C(=O)C1CC(C)(O)C1)C2
InChIInChI=1S/C22H29F3N2O3/c1-3-21(30-17-5-4-16(12-26-17)22(23,24)25)8-6-20(7-9-21)13-27(14-20)18(28)15-10-19(2,29)11-15/h4-5,12,15,29H,3,6-11,13-14H2,1-2H3
InChIKeyCJLNPMCNGPXQDB-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.19
Rot. Bonds4

About [7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710402) has the molecular formula C22H29F3N2O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is [7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710402
Molecular FormulaC22H29F3N2O3
Molecular Weight426.48 g/mol
Exact Mass426.21
IUPAC Name[7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCCC1(Oc2ccc(C(F)(F)F)cn2)CCC2(CC1)CN(C(=O)C1CC(C)(O)C1)C2
InChIInChI=1S/C22H29F3N2O3/c1-3-21(30-17-5-4-16(12-26-17)22(23,24)25)8-6-20(7-9-21)13-27(14-20)18(28)15-10-19(2,29)11-15/h4-5,12,15,29H,3,6-11,13-14H2,1-2H3
InChIKeyCJLNPMCNGPXQDB-UHFFFAOYSA-N
XLogP4.19
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US11802111, Example 459
CID 164710059
US11802111, Example 458
CID 164710143
US11802111, Example 446
CID 164710185
US11802111, Example 466
CID 164710187
US11802111, Example 282
CID 164710271
2-(4-Methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
CID 70692602
US11802111, Example 440
CID 164709974
US11802111, Example 449
CID 164709985
US11802111, Example 441
CID 164710025
US11802111, Example 451
CID 164710064
US11802111, Example 309
CID 164710073
US11802111, Example 438
CID 164710078

Frequently Asked Questions

What is the IUPAC name of [7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710402) is [7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CCC1(Oc2ccc(C(F)(F)F)cn2)CCC2(CC1)CN(C(=O)C1CC(C)(O)C1)C2.
What is the InChIKey of [7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is CJLNPMCNGPXQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O3/c1-3-21(30-17-5-4-16(12-26-17)22(23,24)25)8-6-20(7-9-21)13-27(14-20)18(28)15-10-19(2,29)11-15/h4-5,12,15,29H,3,6-11,13-14H2,1-2H3.
What are the key properties of [7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 426.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-ethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).