6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid

C16H16FN3O4 — CID 176870103

IUPAC6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cc2cn(C34COC(CF)(C3)C4)nc2nc1OC1CC1
InChIInChI=1S/C16H16FN3O4/c17-7-16-5-15(6-16,8-23-16)20-4-9-3-11(14(21)22)13(18-12(9)19-20)24-10-1-2-10/h3-4,10H,1-2,5-8H2,(H,21,22)
InChIKeyDBTMYHMUAHANPT-UHFFFAOYSA-N
MW333.32 g/mol
LogP1.90
Rot. Bonds5

About 6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid

6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 176870103) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is 6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID176870103
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cc2cn(C34COC(CF)(C3)C4)nc2nc1OC1CC1
InChIInChI=1S/C16H16FN3O4/c17-7-16-5-15(6-16,8-23-16)20-4-9-3-11(14(21)22)13(18-12(9)19-20)24-10-1-2-10/h3-4,10H,1-2,5-8H2,(H,21,22)
InChIKeyDBTMYHMUAHANPT-UHFFFAOYSA-N
XLogP1.90
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid 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 6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 176870103) is 6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid is O=C(O)c1cc2cn(C34COC(CF)(C3)C4)nc2nc1OC1CC1.
What is the InChIKey of 6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is DBTMYHMUAHANPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c17-7-16-5-15(6-16,8-23-16)20-4-9-3-11(14(21)22)13(18-12(9)19-20)24-10-1-2-10/h3-4,10H,1-2,5-8H2,(H,21,22).
What are the key properties of 6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 333.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 176870103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).