1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one

C18H20FN3O4 — CID 137303571

IUPAC1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1nc(C)c2c(=O)c(O)c(-c3ccc(OCCOC)cc3F)[nH]c21
InChIInChI=1S/C18H20FN3O4/c1-4-22-18-14(10(2)21-22)16(23)17(24)15(20-18)12-6-5-11(9-13(12)19)26-8-7-25-3/h5-6,9,24H,4,7-8H2,1-3H3,(H,20,23)
InChIKeyFPLXWAISQJFMNA-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.59
Rot. Bonds6

About 1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one

1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 137303571) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID137303571
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1nc(C)c2c(=O)c(O)c(-c3ccc(OCCOC)cc3F)[nH]c21
InChIInChI=1S/C18H20FN3O4/c1-4-22-18-14(10(2)21-22)16(23)17(24)15(20-18)12-6-5-11(9-13(12)19)26-8-7-25-3/h5-6,9,24H,4,7-8H2,1-3H3,(H,20,23)
InChIKeyFPLXWAISQJFMNA-UHFFFAOYSA-N
XLogP2.59
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 152665413
6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303536
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
6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303526
2-fluoro-5-(2-methoxyethoxy)phenol
CID 125116238
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 150296831
3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine
CID 159372256
6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 150505736
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole
CID 121498205

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 137303571) is 1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is CCn1nc(C)c2c(=O)c(O)c(-c3ccc(OCCOC)cc3F)[nH]c21.
What is the InChIKey of 1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is FPLXWAISQJFMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-4-22-18-14(10(2)21-22)16(23)17(24)15(20-18)12-6-5-11(9-13(12)19)26-8-7-25-3/h5-6,9,24H,4,7-8H2,1-3H3,(H,20,23).
What are the key properties of 1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 361.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137303571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).