ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate

C18H19FN4O2 — CID 44561081

IUPACethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2CC)c1NCc1ccc(F)cc1
InChIInChI=1S/C18H19FN4O2/c1-3-23-17-14(11-22-23)16(15(10-21-17)18(24)25-4-2)20-9-12-5-7-13(19)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyMLRJDBYOJQSZGX-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.38
Rot. Bonds6

About ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 44561081) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID44561081
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Nameethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2CC)c1NCc1ccc(F)cc1
InChIInChI=1S/C18H19FN4O2/c1-3-23-17-14(11-22-23)16(15(10-21-17)18(24)25-4-2)20-9-12-5-7-13(19)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyMLRJDBYOJQSZGX-UHFFFAOYSA-N
XLogP3.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydron;chloride
CID 91980760
ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
CID 732002
ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
CID 68580193
ethyl 6-fluoro-4-[(4-methylsulfinylphenyl)methylamino]quinoline-3-carboxylate
CID 133368806
ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 70317616
ethyl 2-[(4-fluorophenyl)methylamino]-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylate
CID 178100051
ethyl 1-ethyl-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1473452
4-[(3-chloro-4-methoxyphenyl)methylamino]-N-[[4-(dimethylamino)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18348812
ethyl 1-[(2R)-2-chloro-2-(4-chlorophenyl)ethyl]-4-[2-(4-methoxyphenyl)ethylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 53308887
4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(3-hydroxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70239856
ethyl 1-ethyl-4-[(4-fluorophenyl)sulfonylmethylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 22322102
ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate
CID 121305827

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate (CID 44561081) is ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(cnn2CC)c1NCc1ccc(F)cc1.
What is the InChIKey of ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is MLRJDBYOJQSZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-3-23-17-14(11-22-23)16(15(10-21-17)18(24)25-4-2)20-9-12-5-7-13(19)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21).
What are the key properties of ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 342.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 44561081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).