1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid

C17H16F3N3O3 — CID 150730994

IUPAC1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid
SMILESCC(C)(O)c1cc2[nH]ncc2cc1N1C(C(F)(F)F)=CC=CC1C(=O)O
InChIInChI=1S/C17H16F3N3O3/c1-16(2,26)10-7-11-9(8-21-22-11)6-13(10)23-12(15(24)25)4-3-5-14(23)17(18,19)20/h3-8,12,26H,1-2H3,(H,21,22)(H,24,25)
InChIKeyJRVQAFXSHUBYHW-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.07
Rot. Bonds3

About 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid

1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid (PubChem CID 150730994) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid
PubChem CID150730994
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid
SMILESCC(C)(O)c1cc2[nH]ncc2cc1N1C(C(F)(F)F)=CC=CC1C(=O)O
InChIInChI=1S/C17H16F3N3O3/c1-16(2,26)10-7-11-9(8-21-22-11)6-13(10)23-12(15(24)25)4-3-5-14(23)17(18,19)20/h3-8,12,26H,1-2H3,(H,21,22)(H,24,25)
InChIKeyJRVQAFXSHUBYHW-UHFFFAOYSA-N
XLogP3.07
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-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

1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate
CID 150730993
N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide
CID 146589495
2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol
CID 169214978
6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 164801989
carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium
CID 155751858
4-[5-(4-fluorophenyl)-7-oxo-1,6-dihydropyrazolo[4,3-g]quinoxalin-8-yl]benzoic acid
CID 178012120
4-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-6,6-dimethyl-1,7-dihydropyrazolo[4,3-g]quinoxalin-8-yl]benzoic acid
CID 178012072
3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 67726850
7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol
CID 177134879
5-methyl-1H-indazol-6-ol
CID 135742461
3-(1H-indazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030707
5-hydroxy-1H-indazole-6-carboxylic acid
CID 76846394

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid?
The IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid (CID 150730994) is 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid.
What is the SMILES notation for 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid?
The canonical SMILES for 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid is CC(C)(O)c1cc2[nH]ncc2cc1N1C(C(F)(F)F)=CC=CC1C(=O)O.
What is the InChIKey of 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid?
The InChIKey is JRVQAFXSHUBYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-16(2,26)10-7-11-9(8-21-22-11)6-13(10)23-12(15(24)25)4-3-5-14(23)17(18,19)20/h3-8,12,26H,1-2H3,(H,21,22)(H,24,25).
What are the key properties of 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid?
1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid has a molecular weight of 367.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid is sourced from PubChem (CID 150730994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).