trans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid

C20H17F3N2O3 — CID 171590366

IUPACtrans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid
SMILESCn1cc2cc(OCc3ccc(C(F)(F)F)cc3)cc([C@@H]3C[C@H]3C(=O)O)c2n1
InChIInChI=1S/C20H17F3N2O3/c1-25-9-12-6-14(7-16(18(12)24-25)15-8-17(15)19(26)27)28-10-11-2-4-13(5-3-11)20(21,22)23/h2-7,9,15,17H,8,10H2,1H3,(H,26,27)/t15-,17+/m0/s1
InChIKeyBFOTZBFJPXZSQD-DOTOQJQBSA-N
MW390.36 g/mol
LogP4.36
Rot. Bonds5

About trans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid (PubChem CID 171590366) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid
PubChem CID171590366
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Nametrans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid
SMILESCn1cc2cc(OCc3ccc(C(F)(F)F)cc3)cc([C@@H]3C[C@H]3C(=O)O)c2n1
InChIInChI=1S/C20H17F3N2O3/c1-25-9-12-6-14(7-16(18(12)24-25)15-8-17(15)19(26)27)28-10-11-2-4-13(5-3-11)20(21,22)23/h2-7,9,15,17H,8,10H2,1H3,(H,26,27)/t15-,17+/m0/s1
InChIKeyBFOTZBFJPXZSQD-DOTOQJQBSA-N
XLogP4.36
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-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

Related Compounds

4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 159697418
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide
CID 135394741
1-[[5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]azetidine-3-carboxylic acid
CID 42613465
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid
CID 146593712
2-oxo-3-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]propanoic acid
CID 91058731
1-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]imidazole-2-carboxylic acid
CID 117191700
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 102811683
2-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 117220530
3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923731
3-[2-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032139

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid (CID 171590366) is trans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid is Cn1cc2cc(OCc3ccc(C(F)(F)F)cc3)cc([C@@H]3C[C@H]3C(=O)O)c2n1.
What is the InChIKey of trans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid?
The InChIKey is BFOTZBFJPXZSQD-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-25-9-12-6-14(7-16(18(12)24-25)15-8-17(15)19(26)27)28-10-11-2-4-13(5-3-11)20(21,22)23/h2-7,9,15,17H,8,10H2,1H3,(H,26,27)/t15-,17+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid has a molecular weight of 390.36 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]indazol-7-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 171590366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).