[7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C22H30F2N2O3 — CID 164710025

IUPAC[7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCCc1ccc(C(F)F)c(OC2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)n1
InChIInChI=1S/C22H30F2N2O3/c1-3-15-4-5-17(18(23)24)19(25-15)29-16-6-8-22(9-7-16)12-26(13-22)20(27)14-10-21(2,28)11-14/h4-5,14,16,18,28H,3,6-13H2,1-2H3
InChIKeyQBWXNCYCXPWCLU-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.89
Rot. Bonds5

About [7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710025) has the molecular formula C22H30F2N2O3 and a molecular weight of 408.49 g/mol. Its IUPAC name is [7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710025
Molecular FormulaC22H30F2N2O3
Molecular Weight408.49 g/mol
Exact Mass408.22
IUPAC Name[7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCCc1ccc(C(F)F)c(OC2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)n1
InChIInChI=1S/C22H30F2N2O3/c1-3-15-4-5-17(18(23)24)19(25-15)29-16-6-8-22(9-7-16)12-26(13-22)20(27)14-10-21(2,28)11-14/h4-5,14,16,18,28H,3,6-13H2,1-2H3
InChIKeyQBWXNCYCXPWCLU-UHFFFAOYSA-N
XLogP3.89
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710025) is [7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CCc1ccc(C(F)F)c(OC2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)n1.
What is the InChIKey of [7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is QBWXNCYCXPWCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N2O3/c1-3-15-4-5-17(18(23)24)19(25-15)29-16-6-8-22(9-7-16)12-26(13-22)20(27)14-10-21(2,28)11-14/h4-5,14,16,18,28H,3,6-13H2,1-2H3.
What are the key properties of [7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 408.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[[3-(difluoromethyl)-6-ethyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).