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

C22H29F3N2O3 — CID 164710271

IUPAC(3-hydroxy-3-methylcyclobutyl)-[6-[[6-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC(C)Oc1nc(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)ccc1C(F)(F)F
InChIInChI=1S/C22H29F3N2O3/c1-13(2)30-18-17(22(23,24)25)5-4-16(26-18)6-14-7-21(8-14)11-27(12-21)19(28)15-9-20(3,29)10-15/h4-5,13-15,29H,6-12H2,1-3H3
InChIKeyZHZFSALLUYZWMM-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.83
Rot. Bonds5

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

(3-hydroxy-3-methylcyclobutyl)-[6-[[6-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 164710271) has the molecular formula C22H29F3N2O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[6-[[6-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[6-[[6-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID164710271
Molecular FormulaC22H29F3N2O3
Molecular Weight426.48 g/mol
Exact Mass426.21
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[6-[[6-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC(C)Oc1nc(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)ccc1C(F)(F)F
InChIInChI=1S/C22H29F3N2O3/c1-13(2)30-18-17(22(23,24)25)5-4-16(26-18)6-14-7-21(8-14)11-27(12-21)19(28)15-9-20(3,29)10-15/h4-5,13-15,29H,6-12H2,1-3H3
InChIKeyZHZFSALLUYZWMM-UHFFFAOYSA-N
XLogP3.83
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-hydroxy-3-methylcyclobutyl)-[6-[[6-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[[6-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[[6-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 164710271) is (3-hydroxy-3-methylcyclobutyl)-[6-[[6-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[6-[[6-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[6-[[6-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is CC(C)Oc1nc(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)ccc1C(F)(F)F.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[6-[[6-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is ZHZFSALLUYZWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O3/c1-13(2)30-18-17(22(23,24)25)5-4-16(26-18)6-14-7-21(8-14)11-27(12-21)19(28)15-9-20(3,29)10-15/h4-5,13-15,29H,6-12H2,1-3H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[6-[[6-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[6-[[6-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 426.48 g/mol, XLogP of 3.83, 5 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-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 164710271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).