2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone

C24H20F3N3O2 — CID 149114250

IUPAC2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2c(CCO)[nH]nc2n1
InChIInChI=1S/C24H20F3N3O2/c1-14-5-6-15(12-22(32)16-3-2-4-17(13-16)24(25,26)27)11-19(14)20-8-7-18-21(9-10-31)29-30-23(18)28-20/h2-8,11,13,31H,9-10,12H2,1H3,(H,28,29,30)
InChIKeyQXYSSKGAZRLFSJ-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.91
Rot. Bonds6

About 2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone

2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 149114250) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID149114250
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2c(CCO)[nH]nc2n1
InChIInChI=1S/C24H20F3N3O2/c1-14-5-6-15(12-22(32)16-3-2-4-17(13-16)24(25,26)27)11-19(14)20-8-7-18-21(9-10-31)29-30-23(18)28-20/h2-8,11,13,31H,9-10,12H2,1H3,(H,28,29,30)
InChIKeyQXYSSKGAZRLFSJ-UHFFFAOYSA-N
XLogP4.91
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
6-[2-[3-(trifluoromethyl)phenyl]acetyl]-2H-phthalazin-1-one
CID 58447239
3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725641
2-(5-fluoro-2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 105373149
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725694
1-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 148630828
4-phenyl-6-[2-[3-(trifluoromethyl)phenyl]acetyl]-2H-phthalazin-1-one
CID 58447329
1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116548555
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
2-[3-[2-[(2S)-3-hydroxy-2-methylpropyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
CID 147973543
1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966354
2-methylhexane;1-[3-(trifluoromethyl)phenyl]butan-1-one
CID 142809248

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone (CID 149114250) is 2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone is Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2c(CCO)[nH]nc2n1.
What is the InChIKey of 2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is QXYSSKGAZRLFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c1-14-5-6-15(12-22(32)16-3-2-4-17(13-16)24(25,26)27)11-19(14)20-8-7-18-21(9-10-31)29-30-23(18)28-20/h2-8,11,13,31H,9-10,12H2,1H3,(H,28,29,30).
What are the key properties of 2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 439.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-hydroxyethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 149114250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).