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

C19H11ClF3N3O2 — CID 137303516

IUPAC1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(-c2ccc(F)cc2Cl)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12
InChIInChI=1S/C19H11ClF3N3O2/c1-8-14-17(27)18(28)16(15-11(22)3-2-4-12(15)23)24-19(14)26(25-8)13-6-5-9(21)7-10(13)20/h2-7,28H,1H3,(H,24,27)
InChIKeyRLMJQXXALSWONY-UHFFFAOYSA-N
MW405.76 g/mol
LogP4.47
Rot. Bonds2

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

1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 137303516) has the molecular formula C19H11ClF3N3O2 and a molecular weight of 405.76 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID137303516
Molecular FormulaC19H11ClF3N3O2
Molecular Weight405.76 g/mol
Exact Mass405.05
IUPAC Name1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(-c2ccc(F)cc2Cl)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12
InChIInChI=1S/C19H11ClF3N3O2/c1-8-14-17(27)18(28)16(15-11(22)3-2-4-12(15)23)24-19(14)26(25-8)13-6-5-9(21)7-10(13)20/h2-7,28H,1H3,(H,24,27)
InChIKeyRLMJQXXALSWONY-UHFFFAOYSA-N
XLogP4.47
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.76
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-chloro-4-fluorophenyl)-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

6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 150505736
6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303541
1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303582
6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 153408737
6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 152643842
3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303493
6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 137303452
6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 150296831
6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 151512455
6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one
CID 135537136
1-[1-(2-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]ethanone
CID 43671079
1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 152665413

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 137303516) is 1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(-c2ccc(F)cc2Cl)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is RLMJQXXALSWONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N3O2/c1-8-14-17(27)18(28)16(15-11(22)3-2-4-12(15)23)24-19(14)26(25-8)13-6-5-9(21)7-10(13)20/h2-7,28H,1H3,(H,24,27).
What are the key properties of 1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 405.76 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137303516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).