N-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C22H23F3N4O3 — CID 137377486

IUPACN-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H23F3N4O3/c1-21(2,31)15-11-17-13(12-29(28-17)14-6-8-32-9-7-14)10-18(15)27-20(30)16-4-3-5-19(26-16)22(23,24)25/h3-5,10-12,14,31H,6-9H2,1-2H3,(H,27,30)
InChIKeyCUEUSICNGPOYFM-UHFFFAOYSA-N
MW448.45 g/mol
LogP4.28
Rot. Bonds4

About N-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 137377486) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID137377486
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC NameN-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H23F3N4O3/c1-21(2,31)15-11-17-13(12-29(28-17)14-6-8-32-9-7-14)10-18(15)27-20(30)16-4-3-5-19(26-16)22(23,24)25/h3-5,10-12,14,31H,6-9H2,1-2H3,(H,27,30)
InChIKeyCUEUSICNGPOYFM-UHFFFAOYSA-N
XLogP4.28
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Zabedosertib
CID 121364961
Irak4-IN-20
CID 121364971
CID 146386401
CID 146386401
US9951086, Example 1
CID 118172966
(+)-1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-hydroxy-1-(pyridin-3-yl)propyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355766
1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-hydroxy-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355889
1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-hydroxy-1-(pyridin-4-yl)propyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355890
US10308634, Example 3
CID 121364974
5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 146240883
5-[5-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 146243619
N-[6-(2-hydroxypropan-2-yl)-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 146380057
N-[2-(azetidin-3-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 146386400

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 137377486) is N-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)c1cc2nn(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CUEUSICNGPOYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-21(2,31)15-11-17-13(12-29(28-17)14-6-8-32-9-7-14)10-18(15)27-20(30)16-4-3-5-19(26-16)22(23,24)25/h3-5,10-12,14,31H,6-9H2,1-2H3,(H,27,30).
What are the key properties of N-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 4.28, 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-(oxan-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 137377486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).