N-[6-(2-hydroxypropan-2-yl)-2-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C21H22F3N5O2 — CID 162664462

IUPACN-[6-(2-hydroxypropan-2-yl)-2-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)C1
InChIInChI=1S/C21H22F3N5O2/c1-20(2,31)14-8-16-12(9-29(27-16)13-10-28(3)11-13)7-17(14)26-19(30)15-5-4-6-18(25-15)21(22,23)24/h4-9,13,31H,10-11H2,1-3H3,(H,26,30)
InChIKeyFSUGZILGAZJHHE-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.42
Rot. Bonds4

About N-[6-(2-hydroxypropan-2-yl)-2-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-(2-hydroxypropan-2-yl)-2-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 162664462) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-[6-(2-hydroxypropan-2-yl)-2-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-hydroxypropan-2-yl)-2-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID162664462
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC NameN-[6-(2-hydroxypropan-2-yl)-2-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)C1
InChIInChI=1S/C21H22F3N5O2/c1-20(2,31)14-8-16-12(9-29(27-16)13-10-28(3)11-13)7-17(14)26-19(30)15-5-4-6-18(25-15)21(22,23)24/h4-9,13,31H,10-11H2,1-3H3,(H,26,30)
InChIKeyFSUGZILGAZJHHE-UHFFFAOYSA-N
XLogP3.42
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.42
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-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 162664462) is N-[6-(2-hydroxypropan-2-yl)-2-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(2-hydroxypropan-2-yl)-2-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(2-hydroxypropan-2-yl)-2-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CN1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)C1.
What is the InChIKey of N-[6-(2-hydroxypropan-2-yl)-2-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FSUGZILGAZJHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-20(2,31)14-8-16-12(9-29(27-16)13-10-28(3)11-13)7-17(14)26-19(30)15-5-4-6-18(25-15)21(22,23)24/h4-9,13,31H,10-11H2,1-3H3,(H,26,30).
What are the key properties of N-[6-(2-hydroxypropan-2-yl)-2-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(2-hydroxypropan-2-yl)-2-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 3.42, 4 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-(1-methylazetidin-3-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 162664462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).