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

C15H11F4N3O2 — CID 137303493

IUPAC3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1nc(C(F)F)c2c(=O)c(O)c(-c3c(F)cccc3F)[nH]c21
InChIInChI=1S/C15H11F4N3O2/c1-2-22-15-9(11(21-22)14(18)19)12(23)13(24)10(20-15)8-6(16)4-3-5-7(8)17/h3-5,14,24H,2H2,1H3,(H,20,23)
InChIKeyLGXPDZUFKNTQHH-UHFFFAOYSA-N
MW341.26 g/mol
LogP3.33
Rot. Bonds3

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

3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 137303493) has the molecular formula C15H11F4N3O2 and a molecular weight of 341.26 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID137303493
Molecular FormulaC15H11F4N3O2
Molecular Weight341.26 g/mol
Exact Mass341.08
IUPAC Name3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1nc(C(F)F)c2c(=O)c(O)c(-c3c(F)cccc3F)[nH]c21
InChIInChI=1S/C15H11F4N3O2/c1-2-22-15-9(11(21-22)14(18)19)12(23)13(24)10(20-15)8-6(16)4-3-5-7(8)17/h3-5,14,24H,2H2,1H3,(H,20,23)
InChIKeyLGXPDZUFKNTQHH-UHFFFAOYSA-N
XLogP3.33
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one (CID 137303493) is 3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one is CCn1nc(C(F)F)c2c(=O)c(O)c(-c3c(F)cccc3F)[nH]c21.
What is the InChIKey of 3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is LGXPDZUFKNTQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N3O2/c1-2-22-15-9(11(21-22)14(18)19)12(23)13(24)10(20-15)8-6(16)4-3-5-7(8)17/h3-5,14,24H,2H2,1H3,(H,20,23).
What are the key properties of 3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one?
3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 341.26 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-(2,6-difluorophenyl)-1-ethyl-5-hydroxy-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137303493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).