(3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone

C21H27F3N2O3 — CID 164710302

About (3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 164710302) has the molecular formula C21H27F3N2O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: (3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 164710302
• Molecular Formula: C21H27F3N2O3
• Molecular Weight: 412.45 g/mol
• Exact Mass: 412.20
• IUPAC Name: (3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone
• SMILES: Cc1cc(C(F)(F)F)cc(OC2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)n1
• InChI: InChI=1S/C21H27F3N2O3/c1-13-7-15(21(22,23)24)8-17(25-13)29-16-3-5-20(6-4-16)11-26(12-20)18(27)14-9-19(2,28)10-14/h7-8,14,16,28H,3-6,9-12H2,1-2H3
• InChIKey: LVBLBHUOBQWICR-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 62.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.45
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone?

The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone (CID 164710302) is (3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone.

What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone?

The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1cc(C(F)(F)F)cc(OC2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)n1.

What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone?

The InChIKey is LVBLBHUOBQWICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O3/c1-13-7-15(21(22,23)24)8-17(25-13)29-16-3-5-20(6-4-16)11-26(12-20)18(27)14-9-19(2,28)10-14/h7-8,14,16,28H,3-6,9-12H2,1-2H3.

What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone?

(3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 412.45 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 164710302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).