[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone

C24H28F3N5O3 — CID 169104748

IUPAC[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone
SMILESCOc1cc(C(F)(F)F)ccc1COC1CN(C(=O)N2CC3(CC(c4n[nH]c(C5CC5)n4)C3)C2)C1
InChIInChI=1S/C24H28F3N5O3/c1-34-19-6-17(24(25,26)27)5-4-15(19)11-35-18-9-31(10-18)22(33)32-12-23(13-32)7-16(8-23)21-28-20(29-30-21)14-2-3-14/h4-6,14,16,18H,2-3,7-13H2,1H3,(H,28,29,30)
InChIKeyHALXRSTYBHZLIY-UHFFFAOYSA-N
MW491.51 g/mol
LogP3.91
Rot. Bonds6

About [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone

[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone (PubChem CID 169104748) has the molecular formula C24H28F3N5O3 and a molecular weight of 491.51 g/mol. Its IUPAC name is [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone
PubChem CID169104748
Molecular FormulaC24H28F3N5O3
Molecular Weight491.51 g/mol
Exact Mass491.21
IUPAC Name[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone
SMILESCOc1cc(C(F)(F)F)ccc1COC1CN(C(=O)N2CC3(CC(c4n[nH]c(C5CC5)n4)C3)C2)C1
InChIInChI=1S/C24H28F3N5O3/c1-34-19-6-17(24(25,26)27)5-4-15(19)11-35-18-9-31(10-18)22(33)32-12-23(13-32)7-16(8-23)21-28-20(29-30-21)14-2-3-14/h4-6,14,16,18H,2-3,7-13H2,1H3,(H,28,29,30)
InChIKeyHALXRSTYBHZLIY-UHFFFAOYSA-N
XLogP3.91
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone?
The IUPAC name of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone (CID 169104748) is [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone.
What is the SMILES notation for [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone?
The canonical SMILES for [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone is COc1cc(C(F)(F)F)ccc1COC1CN(C(=O)N2CC3(CC(c4n[nH]c(C5CC5)n4)C3)C2)C1.
What is the InChIKey of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone?
The InChIKey is HALXRSTYBHZLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O3/c1-34-19-6-17(24(25,26)27)5-4-15(19)11-35-18-9-31(10-18)22(33)32-12-23(13-32)7-16(8-23)21-28-20(29-30-21)14-2-3-14/h4-6,14,16,18H,2-3,7-13H2,1H3,(H,28,29,30).
What are the key properties of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone?
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone has a molecular weight of 491.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 169104748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).