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

C23H18F3N3O3 — CID 152643842

IUPAC6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESO=c1c(O)c(-c2c(F)cccc2F)[nH]c2c1c(C1CCOCC1)nn2-c1ccc(F)cc1
InChIInChI=1S/C23H18F3N3O3/c24-13-4-6-14(7-5-13)29-23-18(19(28-29)12-8-10-32-11-9-12)21(30)22(31)20(27-23)17-15(25)2-1-3-16(17)26/h1-7,12,31H,8-11H2,(H,27,30)
InChIKeyZGDCPORAWKVXRA-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.40
Rot. Bonds3

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

6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 152643842) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID152643842
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC Name6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESO=c1c(O)c(-c2c(F)cccc2F)[nH]c2c1c(C1CCOCC1)nn2-c1ccc(F)cc1
InChIInChI=1S/C23H18F3N3O3/c24-13-4-6-14(7-5-13)29-23-18(19(28-29)12-8-10-32-11-9-12)21(30)22(31)20(27-23)17-15(25)2-1-3-16(17)26/h1-7,12,31H,8-11H2,(H,27,30)
InChIKeyZGDCPORAWKVXRA-UHFFFAOYSA-N
XLogP4.40
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 151512455
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)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303541
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-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 153408737
4,5-ditert-butyl-1-(4-fluorophenyl)-3-(oxan-4-yl)pyrazole
CID 154613511
3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137048885
3-fluoro-2-(oxan-4-yl)phenol
CID 117104359
4-[4-amino-5-isocyano-3-(oxan-4-yl)pyrazol-1-yl]phenol
CID 123646164
2-fluoro-6-(oxan-4-yl)phenol
CID 117104483
3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid
CID 140862942
N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide
CID 163367306

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 152643842) is 6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one is O=c1c(O)c(-c2c(F)cccc2F)[nH]c2c1c(C1CCOCC1)nn2-c1ccc(F)cc1.
What is the InChIKey of 6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is ZGDCPORAWKVXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c24-13-4-6-14(7-5-13)29-23-18(19(28-29)12-8-10-32-11-9-12)21(30)22(31)20(27-23)17-15(25)2-1-3-16(17)26/h1-7,12,31H,8-11H2,(H,27,30).
What are the key properties of 6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one?
6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 441.41 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 152643842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).