2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid

C26H23F3N2O4 — CID 11329192

IUPAC2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid
SMILESCC(C)(Oc1ccc(OCCc2cccc3cn(-c4ccc(C(F)(F)F)cc4)nc23)cc1)C(=O)O
InChIInChI=1S/C26H23F3N2O4/c1-25(2,24(32)33)35-22-12-10-21(11-13-22)34-15-14-17-4-3-5-18-16-31(30-23(17)18)20-8-6-19(7-9-20)26(27,28)29/h3-13,16H,14-15H2,1-2H3,(H,32,33)
InChIKeyCVGCLGWIYDAFKX-UHFFFAOYSA-N
MW484.47 g/mol
LogP5.91
Rot. Bonds8

About 2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid

2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid (PubChem CID 11329192) has the molecular formula C26H23F3N2O4 and a molecular weight of 484.47 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid
PubChem CID11329192
Molecular FormulaC26H23F3N2O4
Molecular Weight484.47 g/mol
Exact Mass484.16
IUPAC Name2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid
SMILESCC(C)(Oc1ccc(OCCc2cccc3cn(-c4ccc(C(F)(F)F)cc4)nc23)cc1)C(=O)O
InChIInChI=1S/C26H23F3N2O4/c1-25(2,24(32)33)35-22-12-10-21(11-13-22)34-15-14-17-4-3-5-18-16-31(30-23(17)18)20-8-6-19(7-9-20)26(27,28)29/h3-13,16H,14-15H2,1-2H3,(H,32,33)
InChIKeyCVGCLGWIYDAFKX-UHFFFAOYSA-N
XLogP5.91
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.47
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methyl-4-[[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]methylsulfanyl]phenyl]propanoic acid
CID 11317373
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908
2-[4-[2-[[4-[(4-fluorophenyl)methylamino]-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]oxy]ethoxy]phenoxy]-2-methylpropanoic acid
CID 142682936
2-methyl-2-[4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenoxy]propanoic acid
CID 10112970
2-methyl-2-[4-[3-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]propoxy]phenoxy]propanoic acid
CID 23074271
2-methyl-2-[2-methyl-4-[[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]methoxy]phenoxy]propanoic acid
CID 11317706
3-[4-[[3-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]-2-methylphenyl]propanoic acid
CID 58733759
2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid
CID 69036506
calcium;2-[3-[3-[3-ethoxy-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propoxy]phenoxy]-2-methylpropanoic acid;hydride
CID 173196751
2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid
CID 143921045
methyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate
CID 174578985
2-[4-(2-chloroethoxy)phenoxy]-2-methylpropanoic acid
CID 22041503

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid (CID 11329192) is 2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid is CC(C)(Oc1ccc(OCCc2cccc3cn(-c4ccc(C(F)(F)F)cc4)nc23)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid?
The InChIKey is CVGCLGWIYDAFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O4/c1-25(2,24(32)33)35-22-12-10-21(11-13-22)34-15-14-17-4-3-5-18-16-31(30-23(17)18)20-8-6-19(7-9-20)26(27,28)29/h3-13,16H,14-15H2,1-2H3,(H,32,33).
What are the key properties of 2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid?
2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid has a molecular weight of 484.47 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid is sourced from PubChem (CID 11329192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).