7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one

C16H15F2N3O2 — CID 87067852

IUPAC7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one
SMILESCc1ccccc1-c1c(O)c2cn(C)nc2n(CC(F)F)c1=O
InChIInChI=1S/C16H15F2N3O2/c1-9-5-3-4-6-10(9)13-14(22)11-7-20(2)19-15(11)21(16(13)23)8-12(17)18/h3-7,12,22H,8H2,1-2H3
InChIKeyBFBHZIIKKLPCCK-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.68
Rot. Bonds3

About 7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one

7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one (PubChem CID 87067852) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one
PubChem CID87067852
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one
SMILESCc1ccccc1-c1c(O)c2cn(C)nc2n(CC(F)F)c1=O
InChIInChI=1S/C16H15F2N3O2/c1-9-5-3-4-6-10(9)13-14(22)11-7-20(2)19-15(11)21(16(13)23)8-12(17)18/h3-7,12,22H,8H2,1-2H3
InChIKeyBFBHZIIKKLPCCK-UHFFFAOYSA-N
XLogP2.68
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one (CID 87067852) is 7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one is Cc1ccccc1-c1c(O)c2cn(C)nc2n(CC(F)F)c1=O.
What is the InChIKey of 7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is BFBHZIIKKLPCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-9-5-3-4-6-10(9)13-14(22)11-7-20(2)19-15(11)21(16(13)23)8-12(17)18/h3-7,12,22H,8H2,1-2H3.
What are the key properties of 7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one?
7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 319.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethyl)-4-hydroxy-2-methyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 87067852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).