6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one

C13H9F2N3O2 — CID 137303452

IUPAC6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
SMILESCc1[nH]nc2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12
InChIInChI=1S/C13H9F2N3O2/c1-5-8-11(19)12(20)10(16-13(8)18-17-5)9-6(14)3-2-4-7(9)15/h2-4,20H,1H3,(H2,16,17,18,19)
InChIKeyMQIGUSXKYVAHIU-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.21
Rot. Bonds1

About 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one

6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one (PubChem CID 137303452) has the molecular formula C13H9F2N3O2 and a molecular weight of 277.23 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
PubChem CID137303452
Molecular FormulaC13H9F2N3O2
Molecular Weight277.23 g/mol
Exact Mass277.07
IUPAC Name6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
SMILESCc1[nH]nc2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12
InChIInChI=1S/C13H9F2N3O2/c1-5-8-11(19)12(20)10(16-13(8)18-17-5)9-6(14)3-2-4-7(9)15/h2-4,20H,1H3,(H2,16,17,18,19)
InChIKeyMQIGUSXKYVAHIU-UHFFFAOYSA-N
XLogP2.21
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(2,6-difluorophenyl)-3-methyl-4-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-5-yl]ethyl hydrogen carbonate
CID 175010058
6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 153408737
1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303582
3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303493
1-(2-chloro-4-fluorophenyl)-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303516
2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-propanimidoyl-1H-pyridin-4-one
CID 163599067
6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303457
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)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 151512455
6-(2,6-difluorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 152643842
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 43546935
6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one
CID 137303515

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The IUPAC name of 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one (CID 137303452) is 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one.
What is the SMILES notation for 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The canonical SMILES for 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one is Cc1[nH]nc2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12.
What is the InChIKey of 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The InChIKey is MQIGUSXKYVAHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O2/c1-5-8-11(19)12(20)10(16-13(8)18-17-5)9-6(14)3-2-4-7(9)15/h2-4,20H,1H3,(H2,16,17,18,19).
What are the key properties of 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one has a molecular weight of 277.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one is sourced from PubChem (CID 137303452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).