2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol

C26H32FN7O — CID 153382876

IUPAC2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol
SMILESCCc1nc2c(cc1-c1ccc(-c3cn(C)nc3F)cc1O)nnn2C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H32FN7O/c1-7-20-18(17-9-8-15(10-22(17)35)19-14-33(6)30-23(19)27)11-21-24(28-20)34(32-29-21)16-12-25(2,3)31-26(4,5)13-16/h8-11,14,16,31,35H,7,12-13H2,1-6H3
InChIKeyLJIAFYPXYZYWPG-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.78
Rot. Bonds4

About 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol

2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol (PubChem CID 153382876) has the molecular formula C26H32FN7O and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol
PubChem CID153382876
Molecular FormulaC26H32FN7O
Molecular Weight477.59 g/mol
Exact Mass477.27
IUPAC Name2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol
SMILESCCc1nc2c(cc1-c1ccc(-c3cn(C)nc3F)cc1O)nnn2C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H32FN7O/c1-7-20-18(17-9-8-15(10-22(17)35)19-14-33(6)30-23(19)27)11-21-24(28-20)34(32-29-21)16-12-25(2,3)31-26(4,5)13-16/h8-11,14,16,31,35H,7,12-13H2,1-6H3
InChIKeyLJIAFYPXYZYWPG-UHFFFAOYSA-N
XLogP4.78
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol with MolForge

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Related Compounds

Torkinib
CID 135565635
3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino)-5-(2-isopropyl-2H-tetrazol-5-yl)phenol
CID 118009188
3-(3-Hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44226447
5-(7-(4-((1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
CID 46879449
1-((1S,4S)-5-(4-(3-(4-fluoro-3-hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone
CID 46879450
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880076
3-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880102
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 46880104
3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880136
3-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880137
3-[7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880138

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol?
The IUPAC name of 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol (CID 153382876) is 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol?
The canonical SMILES for 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol is CCc1nc2c(cc1-c1ccc(-c3cn(C)nc3F)cc1O)nnn2C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol?
The InChIKey is LJIAFYPXYZYWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O/c1-7-20-18(17-9-8-15(10-22(17)35)19-14-33(6)30-23(19)27)11-21-24(28-20)34(32-29-21)16-12-25(2,3)31-26(4,5)13-16/h8-11,14,16,31,35H,7,12-13H2,1-6H3.
What are the key properties of 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol?
2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol has a molecular weight of 477.59 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]-5-(3-fluoro-1-methylpyrazol-4-yl)phenol is sourced from PubChem (CID 153382876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).