[7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C21H28F2N2O3 — CID 164710078

IUPAC[7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCc1nc(OC2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)ccc1C(F)F
InChIInChI=1S/C21H28F2N2O3/c1-13-16(18(22)23)3-4-17(24-13)28-15-5-7-21(8-6-15)11-25(12-21)19(26)14-9-20(2,27)10-14/h3-4,14-15,18,27H,5-12H2,1-2H3
InChIKeyOOEIPKYXXUULLJ-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.64
Rot. Bonds4

About [7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710078) has the molecular formula C21H28F2N2O3 and a molecular weight of 394.46 g/mol. Its IUPAC name is [7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710078
Molecular FormulaC21H28F2N2O3
Molecular Weight394.46 g/mol
Exact Mass394.21
IUPAC Name[7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCc1nc(OC2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)ccc1C(F)F
InChIInChI=1S/C21H28F2N2O3/c1-13-16(18(22)23)3-4-17(24-13)28-15-5-7-21(8-6-15)11-25(12-21)19(26)14-9-20(2,27)10-14/h3-4,14-15,18,27H,5-12H2,1-2H3
InChIKeyOOEIPKYXXUULLJ-UHFFFAOYSA-N
XLogP3.64
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710078) is [7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is Cc1nc(OC2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)ccc1C(F)F.
What is the InChIKey of [7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is OOEIPKYXXUULLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N2O3/c1-13-16(18(22)23)3-4-17(24-13)28-15-5-7-21(8-6-15)11-25(12-21)19(26)14-9-20(2,27)10-14/h3-4,14-15,18,27H,5-12H2,1-2H3.
What are the key properties of [7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 394.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[[5-(difluoromethyl)-6-methyl-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).