methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate

C16H12F3N3O3 — CID 170602810

IUPACmethyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(OCc3cccnc3C(F)(F)F)cc12
InChIInChI=1S/C16H12F3N3O3/c1-24-15(23)13-11-7-10(4-5-12(11)21-22-13)25-8-9-3-2-6-20-14(9)16(17,18)19/h2-7H,8H2,1H3,(H,21,22)
InChIKeyWHBZQLSKWQGWAA-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.34
Rot. Bonds4

About methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate

methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate (PubChem CID 170602810) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate
PubChem CID170602810
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC Namemethyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(OCc3cccnc3C(F)(F)F)cc12
InChIInChI=1S/C16H12F3N3O3/c1-24-15(23)13-11-7-10(4-5-12(11)21-22-13)25-8-9-3-2-6-20-14(9)16(17,18)19/h2-7H,8H2,1H3,(H,21,22)
InChIKeyWHBZQLSKWQGWAA-UHFFFAOYSA-N
XLogP3.34
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate 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

ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380526
2-methyl-N-(1H-pyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380491
ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate
CID 170599471
N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide
CID 170602684
2-[2-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyliminoacetamide
CID 170417941
methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate
CID 46235776
2-methyl-N-(1-methylpiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-3-carboxamide
CID 170599558
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380775
N-(4,4-difluorooxolan-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380454
tert-butyl formate;1-(5-phenylmethoxy-1H-indazol-3-yl)ethanone
CID 159625660
N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide
CID 86219883

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate?
The IUPAC name of methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate (CID 170602810) is methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate?
The canonical SMILES for methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate is COC(=O)c1n[nH]c2ccc(OCc3cccnc3C(F)(F)F)cc12.
What is the InChIKey of methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate?
The InChIKey is WHBZQLSKWQGWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c1-24-15(23)13-11-7-10(4-5-12(11)21-22-13)25-8-9-3-2-6-20-14(9)16(17,18)19/h2-7H,8H2,1H3,(H,21,22).
What are the key properties of methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate?
methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate has a molecular weight of 351.28 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate is sourced from PubChem (CID 170602810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).