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

C17H17F2N3O2 — CID 153408737

IUPAC6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(CC(C)C)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12
InChIInChI=1S/C17H17F2N3O2/c1-8(2)7-22-17-12(9(3)21-22)15(23)16(24)14(20-17)13-10(18)5-4-6-11(13)19/h4-6,8,24H,7H2,1-3H3,(H,20,23)
InChIKeyPJFAXAHJGKDEEO-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.34
Rot. Bonds3

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

6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 153408737) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID153408737
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(CC(C)C)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12
InChIInChI=1S/C17H17F2N3O2/c1-8(2)7-22-17-12(9(3)21-22)15(23)16(24)14(20-17)13-10(18)5-4-6-11(13)19/h4-6,8,24H,7H2,1-3H3,(H,20,23)
InChIKeyPJFAXAHJGKDEEO-UHFFFAOYSA-N
XLogP3.34
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

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-morpholin-4-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303457
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
6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 151512455
1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 152665413
6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 137303452
6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 150807748
1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303571
6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303526
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)-1-(4-fluorophenyl)-5-hydroxy-3-(oxan-4-yl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 152643842

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 153408737) is 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(CC(C)C)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12.
What is the InChIKey of 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is PJFAXAHJGKDEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-8(2)7-22-17-12(9(3)21-22)15(23)16(24)14(20-17)13-10(18)5-4-6-11(13)19/h4-6,8,24H,7H2,1-3H3,(H,20,23).
What are the key properties of 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 333.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 153408737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).