2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate

C13H14FN3O2 — CID 166312908

IUPAC2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESC=C(F)COC(=O)c1cc(C)nc2c1cnn2CC
InChIInChI=1S/C13H14FN3O2/c1-4-17-12-11(6-15-17)10(5-9(3)16-12)13(18)19-7-8(2)14/h5-6H,2,4,7H2,1,3H3
InChIKeyRLOHKQWFVSBGJI-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.40
Rot. Bonds4

About 2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate

2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 166312908) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID166312908
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESC=C(F)COC(=O)c1cc(C)nc2c1cnn2CC
InChIInChI=1S/C13H14FN3O2/c1-4-17-12-11(6-15-17)10(5-9(3)16-12)13(18)19-7-8(2)14/h5-6H,2,4,7H2,1,3H3
InChIKeyRLOHKQWFVSBGJI-UHFFFAOYSA-N
XLogP2.40
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of 2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate (CID 166312908) is 2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for 2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for 2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate is C=C(F)COC(=O)c1cc(C)nc2c1cnn2CC.
What is the InChIKey of 2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is RLOHKQWFVSBGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-4-17-12-11(6-15-17)10(5-9(3)16-12)13(18)19-7-8(2)14/h5-6H,2,4,7H2,1,3H3.
What are the key properties of 2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate?
2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 166312908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).