1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one

C23H25F3N4O3 — CID 176821621

IUPAC1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one
SMILESCCN1CC(Cn2nc3nc(-c4c(C)cc(C(F)(F)F)cc4O)ccc3c2C(C)O)CC1=O
InChIInChI=1S/C23H25F3N4O3/c1-4-29-10-14(8-19(29)33)11-30-21(13(3)31)16-5-6-17(27-22(16)28-30)20-12(2)7-15(9-18(20)32)23(24,25)26/h5-7,9,13-14,31-32H,4,8,10-11H2,1-3H3
InChIKeyQHKXETKAPWOOAU-UHFFFAOYSA-N
MW462.47 g/mol
LogP4.05
Rot. Bonds5

About 1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one

1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one (PubChem CID 176821621) has the molecular formula C23H25F3N4O3 and a molecular weight of 462.47 g/mol. Its IUPAC name is 1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one
PubChem CID176821621
Molecular FormulaC23H25F3N4O3
Molecular Weight462.47 g/mol
Exact Mass462.19
IUPAC Name1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one
SMILESCCN1CC(Cn2nc3nc(-c4c(C)cc(C(F)(F)F)cc4O)ccc3c2C(C)O)CC1=O
InChIInChI=1S/C23H25F3N4O3/c1-4-29-10-14(8-19(29)33)11-30-21(13(3)31)16-5-6-17(27-22(16)28-30)20-12(2)7-15(9-18(20)32)23(24,25)26/h5-7,9,13-14,31-32H,4,8,10-11H2,1-3H3
InChIKeyQHKXETKAPWOOAU-UHFFFAOYSA-N
XLogP4.05
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-2-(oxolan-3-yl)pyrazolo[3,4-b]pyridin-3-yl]ethanone
CID 177136260
[2-amino-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methylidene-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]azanium
CID 177136329
4-[[[2-amino-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methylideneamino]methyl]-1-methylpyrrolidin-2-one
CID 177136277
ethane;3-methyl-2-(2-methylpyrazolo[3,4-b]pyridin-6-yl)-5-(trifluoromethyl)phenol
CID 177136418
(5S,6R)-5-[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]-6-methylpiperidin-2-one
CID 176821623
2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 175894294
3-methyl-2-[4-methyl-2-(oxan-4-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol
CID 177223099
3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidine-2,5-dione
CID 177105871
1-(1-ethylpiperidin-3-yl)-3-[5-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-2-oxo-1H-pyrazin-3-yl]thiourea
CID 170156928
3-methyl-2-[2-(5-oxaspiro[3.5]nonan-8-yl)pyrazolo[3,4-b]pyridin-6-yl]-5-(trifluoromethyl)phenol
CID 177223166
5-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpiperidin-2-one
CID 177105930
3-methyl-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 177105946

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one (CID 176821621) is 1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one is CCN1CC(Cn2nc3nc(-c4c(C)cc(C(F)(F)F)cc4O)ccc3c2C(C)O)CC1=O.
What is the InChIKey of 1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is QHKXETKAPWOOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O3/c1-4-29-10-14(8-19(29)33)11-30-21(13(3)31)16-5-6-17(27-22(16)28-30)20-12(2)7-15(9-18(20)32)23(24,25)26/h5-7,9,13-14,31-32H,4,8,10-11H2,1-3H3.
What are the key properties of 1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one?
1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 462.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[3-(1-hydroxyethyl)-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 176821621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).