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

C17H15F3N3O3- — CID 150730993

IUPAC1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate
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)/p-1
InChIKeyJRVQAFXSHUBYHW-UHFFFAOYSA-M
MW366.32 g/mol
LogP1.73
Rot. Bonds3

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

1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate (PubChem CID 150730993) has the molecular formula C17H15F3N3O3- and a molecular weight of 366.32 g/mol. Its IUPAC name is 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate.

Molecular Properties

Compound Name1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate
PubChem CID150730993
Molecular FormulaC17H15F3N3O3-
Molecular Weight366.32 g/mol
Exact Mass366.11
IUPAC Name1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate
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)/p-1
InChIKeyJRVQAFXSHUBYHW-UHFFFAOYSA-M
XLogP1.73
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid
CID 150730994
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
3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 67726850
4-[5-(4-fluorophenyl)-7-oxo-1,6-dihydropyrazolo[4,3-g]quinoxalin-8-yl]benzoic acid
CID 178012120
7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol
CID 177134879
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
5-methyl-1H-indazol-6-ol
CID 135742461
2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158850062
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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate?
The IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate (CID 150730993) is 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate.
What is the SMILES notation for 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate?
The canonical SMILES for 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate 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-carboxylate?
The InChIKey is JRVQAFXSHUBYHW-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate?
1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate has a molecular weight of 366.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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-carboxylate is sourced from PubChem (CID 150730993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).