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

C24H28F3N5O2 — CID 170565888

IUPAC[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone
SMILESCC1C(OCc2ccc(C(F)(F)F)cc2)CN1C(=O)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C24H28F3N5O2/c1-15-20(34-11-16-2-6-18(7-3-16)24(25,26)27)10-31(15)22(33)30-12-23(13-30)8-19(9-23)32-14-28-21(29-32)17-4-5-17/h2-3,6-7,14-15,17,19-20H,4-5,8-13H2,1H3
InChIKeyHUEOUHTWSQQJHA-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.22
Rot. Bonds5

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

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone (PubChem CID 170565888) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone
PubChem CID170565888
Molecular FormulaC24H28F3N5O2
Molecular Weight475.52 g/mol
Exact Mass475.22
IUPAC Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone
SMILESCC1C(OCc2ccc(C(F)(F)F)cc2)CN1C(=O)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C24H28F3N5O2/c1-15-20(34-11-16-2-6-18(7-3-16)24(25,26)27)10-31(15)22(33)30-12-23(13-30)8-19(9-23)32-14-28-21(29-32)17-4-5-17/h2-3,6-7,14-15,17,19-20H,4-5,8-13H2,1H3
InChIKeyHUEOUHTWSQQJHA-UHFFFAOYSA-N
XLogP4.22
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone?
The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone (CID 170565888) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone.
What is the SMILES notation for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone?
The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone is CC1C(OCc2ccc(C(F)(F)F)cc2)CN1C(=O)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1.
What is the InChIKey of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone?
The InChIKey is HUEOUHTWSQQJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c1-15-20(34-11-16-2-6-18(7-3-16)24(25,26)27)10-31(15)22(33)30-12-23(13-30)8-19(9-23)32-14-28-21(29-32)17-4-5-17/h2-3,6-7,14-15,17,19-20H,4-5,8-13H2,1H3.
What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone?
[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone has a molecular weight of 475.52 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 170565888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).