1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one

C20H15F2N3O2 — CID 137303582

IUPAC1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(Cc2ccccc2)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12
InChIInChI=1S/C20H15F2N3O2/c1-11-15-18(26)19(27)17(16-13(21)8-5-9-14(16)22)23-20(15)25(24-11)10-12-6-3-2-4-7-12/h2-9,27H,10H2,1H3,(H,23,26)
InChIKeyCCPMMVSJFYCNKQ-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.73
Rot. Bonds3

About 1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one

1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 137303582) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID137303582
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(Cc2ccccc2)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12
InChIInChI=1S/C20H15F2N3O2/c1-11-15-18(26)19(27)17(16-13(21)8-5-9-14(16)22)23-20(15)25(24-11)10-12-6-3-2-4-7-12/h2-9,27H,10H2,1H3,(H,23,26)
InChIKeyCCPMMVSJFYCNKQ-UHFFFAOYSA-N
XLogP3.73
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-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-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303516
6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303526
6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 150807748
6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 137303452
1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303571
3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one
CID 135848128
6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 150296831
6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 150505736
(E)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1-(2,6-difluorophenyl)prop-2-en-1-one
CID 8853634
ethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 135650098
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
3-benzyl-4-fluoro-1H-benzimidazol-2-one
CID 83415339

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 137303582) is 1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(Cc2ccccc2)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12.
What is the InChIKey of 1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is CCPMMVSJFYCNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c1-11-15-18(26)19(27)17(16-13(21)8-5-9-14(16)22)23-20(15)25(24-11)10-12-6-3-2-4-7-12/h2-9,27H,10H2,1H3,(H,23,26).
What are the key properties of 1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 367.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137303582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).