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

C19H23F3N2O3 — CID 164710073

IUPAC(3-hydroxy-3-methylcyclobutyl)-[6-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1nc(OC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)ccc1C(F)(F)F
InChIInChI=1S/C19H23F3N2O3/c1-11-14(19(20,21)22)3-4-15(23-11)27-13-7-18(8-13)9-24(10-18)16(25)12-5-17(2,26)6-12/h3-4,12-13,26H,5-10H2,1-2H3
InChIKeyNLXNIWPMDKNTDK-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.94
Rot. Bonds3

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

(3-hydroxy-3-methylcyclobutyl)-[6-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 164710073) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[6-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[6-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID164710073
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[6-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1nc(OC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)ccc1C(F)(F)F
InChIInChI=1S/C19H23F3N2O3/c1-11-14(19(20,21)22)3-4-15(23-11)27-13-7-18(8-13)9-24(10-18)16(25)12-5-17(2,26)6-12/h3-4,12-13,26H,5-10H2,1-2H3
InChIKeyNLXNIWPMDKNTDK-UHFFFAOYSA-N
XLogP2.94
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 164710073) is (3-hydroxy-3-methylcyclobutyl)-[6-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[6-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[6-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]methanone is Cc1nc(OC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)ccc1C(F)(F)F.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[6-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is NLXNIWPMDKNTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c1-11-14(19(20,21)22)3-4-15(23-11)27-13-7-18(8-13)9-24(10-18)16(25)12-5-17(2,26)6-12/h3-4,12-13,26H,5-10H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[6-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[6-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 384.40 g/mol, XLogP of 2.94, 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)-[6-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 164710073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).