(3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

C20H25F3N2O2 — CID 164710204

IUPAC(3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1ccc(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)nc1C(F)(F)F
InChIInChI=1S/C20H25F3N2O2/c1-12-3-4-15(24-16(12)20(21,22)23)5-13-6-19(7-13)10-25(11-19)17(26)14-8-18(2,27)9-14/h3-4,13-14,27H,5-11H2,1-2H3
InChIKeyLYAMALZETUYJOA-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.35
Rot. Bonds3

About (3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 164710204) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID164710204
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1ccc(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)nc1C(F)(F)F
InChIInChI=1S/C20H25F3N2O2/c1-12-3-4-15(24-16(12)20(21,22)23)5-13-6-19(7-13)10-25(11-19)17(26)14-8-18(2,27)9-14/h3-4,13-14,27H,5-11H2,1-2H3
InChIKeyLYAMALZETUYJOA-UHFFFAOYSA-N
XLogP3.35
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 164710204) is (3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is Cc1ccc(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)nc1C(F)(F)F.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is LYAMALZETUYJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c1-12-3-4-15(24-16(12)20(21,22)23)5-13-6-19(7-13)10-25(11-19)17(26)14-8-18(2,27)9-14/h3-4,13-14,27H,5-11H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 382.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 164710204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).