3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine

C21H21FN6O — CID 24825871

IUPAC3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine
SMILESCCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3cccc(F)n3)ccc12
InChIInChI=1S/C21H21FN6O/c1-2-16-15-6-7-17(24-21(15)27(26-16)14-9-12-29-13-10-14)18-8-11-23-28(18)20-5-3-4-19(22)25-20/h3-8,11,14H,2,9-10,12-13H2,1H3
InChIKeyRBVFBVNZCBGIJH-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.73
Rot. Bonds4

About 3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine

3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine (PubChem CID 24825871) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine
PubChem CID24825871
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine
SMILESCCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3cccc(F)n3)ccc12
InChIInChI=1S/C21H21FN6O/c1-2-16-15-6-7-17(24-21(15)27(26-16)14-9-12-29-13-10-14)18-8-11-23-28(18)20-5-3-4-19(22)25-20/h3-8,11,14H,2,9-10,12-13H2,1H3
InChIKeyRBVFBVNZCBGIJH-UHFFFAOYSA-N
XLogP3.73
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine (CID 24825871) is 3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine is CCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3cccc(F)n3)ccc12.
What is the InChIKey of 3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine?
The InChIKey is RBVFBVNZCBGIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-2-16-15-6-7-17(24-21(15)27(26-16)14-9-12-29-13-10-14)18-8-11-23-28(18)20-5-3-4-19(22)25-20/h3-8,11,14H,2,9-10,12-13H2,1H3.
What are the key properties of 3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine?
3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine has a molecular weight of 392.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 24825871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).