N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C21H21F3N4O3 — CID 121364946

IUPACN-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(CC3COC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H21F3N4O3/c1-20(2,30)14-7-16-13(9-28(27-16)8-12-10-31-11-12)6-17(14)26-19(29)15-4-3-5-18(25-15)21(22,23)24/h3-7,9,12,30H,8,10-11H2,1-2H3,(H,26,29)
InChIKeyVFSGNUGYEMFXMN-UHFFFAOYSA-N
MW434.42 g/mol
LogP3.58
Rot. Bonds5

About N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 121364946) has the molecular formula C21H21F3N4O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID121364946
Molecular FormulaC21H21F3N4O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC NameN-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(CC3COC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H21F3N4O3/c1-20(2,30)14-7-16-13(9-28(27-16)8-12-10-31-11-12)6-17(14)26-19(29)15-4-3-5-18(25-15)21(22,23)24/h3-7,9,12,30H,8,10-11H2,1-2H3,(H,26,29)
InChIKeyVFSGNUGYEMFXMN-UHFFFAOYSA-N
XLogP3.58
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 121364946) is N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)c1cc2nn(CC3COC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is VFSGNUGYEMFXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3/c1-20(2,30)14-7-16-13(9-28(27-16)8-12-10-31-11-12)6-17(14)26-19(29)15-4-3-5-18(25-15)21(22,23)24/h3-7,9,12,30H,8,10-11H2,1-2H3,(H,26,29).
What are the key properties of N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 121364946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).