ethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

C17H16FN3O3 — CID 2820910

IUPACethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1ccccc1F
InChIInChI=1S/C17H16FN3O3/c1-4-23-17(22)11-9-19-16-14(10(2)20-21(16)3)15(11)24-13-8-6-5-7-12(13)18/h5-9H,4H2,1-3H3
InChIKeyMHNQKNPLRMJOSO-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.38
Rot. Bonds4

About ethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 2820910) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is ethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID2820910
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Nameethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1ccccc1F
InChIInChI=1S/C17H16FN3O3/c1-4-23-17(22)11-9-19-16-14(10(2)20-21(16)3)15(11)24-13-8-6-5-7-12(13)18/h5-9H,4H2,1-3H3
InChIKeyMHNQKNPLRMJOSO-UHFFFAOYSA-N
XLogP3.38
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 2820910) is ethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1ccccc1F.
What is the InChIKey of ethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is MHNQKNPLRMJOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-4-23-17(22)11-9-19-16-14(10(2)20-21(16)3)15(11)24-13-8-6-5-7-12(13)18/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 329.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 2820910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).