1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid

C34H29F3N2O3 — CID 67021177

IUPAC1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(COc3cccc(-c4c5cccc(C(F)(F)F)c5nn4Cc4ccccc4)c3)cc2)CCCC1
InChIInChI=1S/C34H29F3N2O3/c35-34(36,37)29-13-7-12-28-30(29)38-39(21-23-8-2-1-3-9-23)31(28)25-10-6-11-27(20-25)42-22-24-14-16-26(17-15-24)33(32(40)41)18-4-5-19-33/h1-3,6-17,20H,4-5,18-19,21-22H2,(H,40,41)
InChIKeyFIEWUURBWYONPW-UHFFFAOYSA-N
MW570.61 g/mol
LogP8.25
Rot. Bonds8

About 1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid

1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid (PubChem CID 67021177) has the molecular formula C34H29F3N2O3 and a molecular weight of 570.61 g/mol. Its IUPAC name is 1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid
PubChem CID67021177
Molecular FormulaC34H29F3N2O3
Molecular Weight570.61 g/mol
Exact Mass570.21
IUPAC Name1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(COc3cccc(-c4c5cccc(C(F)(F)F)c5nn4Cc4ccccc4)c3)cc2)CCCC1
InChIInChI=1S/C34H29F3N2O3/c35-34(36,37)29-13-7-12-28-30(29)38-39(21-23-8-2-1-3-9-23)31(28)25-10-6-11-27(20-25)42-22-24-14-16-26(17-15-24)33(32(40)41)18-4-5-19-33/h1-3,6-17,20H,4-5,18-19,21-22H2,(H,40,41)
InChIKeyFIEWUURBWYONPW-UHFFFAOYSA-N
XLogP8.25
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.61
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid 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 1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid (CID 67021177) is 1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc(COc3cccc(-c4c5cccc(C(F)(F)F)c5nn4Cc4ccccc4)c3)cc2)CCCC1.
What is the InChIKey of 1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is FIEWUURBWYONPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F3N2O3/c35-34(36,37)29-13-7-12-28-30(29)38-39(21-23-8-2-1-3-9-23)31(28)25-10-6-11-27(20-25)42-22-24-14-16-26(17-15-24)33(32(40)41)18-4-5-19-33/h1-3,6-17,20H,4-5,18-19,21-22H2,(H,40,41).
What are the key properties of 1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid?
1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 570.61 g/mol, XLogP of 8.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 67021177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).