[5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C23H21F3N4O2S — CID 130249768

IUPAC[5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1cnc(-c2nccs2)c(C(=O)N2CC3CCC2(COc2ccc(C(F)(F)F)cn2)C3)c1
InChIInChI=1S/C23H21F3N4O2S/c1-14-8-17(19(29-10-14)20-27-6-7-33-20)21(31)30-12-15-4-5-22(30,9-15)13-32-18-3-2-16(11-28-18)23(24,25)26/h2-3,6-8,10-11,15H,4-5,9,12-13H2,1H3
InChIKeyPKPFMFJDSZBONM-UHFFFAOYSA-N
MW474.51 g/mol
LogP5.00
Rot. Bonds5

About [5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

[5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 130249768) has the molecular formula C23H21F3N4O2S and a molecular weight of 474.51 g/mol. Its IUPAC name is [5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID130249768
Molecular FormulaC23H21F3N4O2S
Molecular Weight474.51 g/mol
Exact Mass474.13
IUPAC Name[5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1cnc(-c2nccs2)c(C(=O)N2CC3CCC2(COc2ccc(C(F)(F)F)cn2)C3)c1
InChIInChI=1S/C23H21F3N4O2S/c1-14-8-17(19(29-10-14)20-27-6-7-33-20)21(31)30-12-15-4-5-22(30,9-15)13-32-18-3-2-16(11-28-18)23(24,25)26/h2-3,6-8,10-11,15H,4-5,9,12-13H2,1H3
InChIKeyPKPFMFJDSZBONM-UHFFFAOYSA-N
XLogP5.00
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.51
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-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

Related Compounds

[5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 130249652
[2-(1,3-thiazol-2-yl)-3-pyridinyl]-[(1S,4R,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 118876766
(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)-[(1S,4R,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 118876530
[6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
CID 123753312
[2-(3-fluoro-2-pyridinyl)-5-methyl-3-pyridinyl]-[(1S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 175790603
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 134267096
(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 175896473
[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 140702453
[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90414265
[2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]amino]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
CID 139504831
(4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247666
(5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118876805

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of [5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 130249768) is [5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for [5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for [5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1cnc(-c2nccs2)c(C(=O)N2CC3CCC2(COc2ccc(C(F)(F)F)cn2)C3)c1.
What is the InChIKey of [5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is PKPFMFJDSZBONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2S/c1-14-8-17(19(29-10-14)20-27-6-7-33-20)21(31)30-12-15-4-5-22(30,9-15)13-32-18-3-2-16(11-28-18)23(24,25)26/h2-3,6-8,10-11,15H,4-5,9,12-13H2,1H3.
What are the key properties of [5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
[5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 474.51 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 130249768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).