3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine

C21H18FN5O — CID 71253405

IUPAC3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine
SMILESFc1cc(-c2nn(C3CCCCO3)c3cnc(-c4cccnc4)cc23)ccn1
InChIInChI=1S/C21H18FN5O/c22-19-10-14(6-8-24-19)21-16-11-17(15-4-3-7-23-12-15)25-13-18(16)27(26-21)20-5-1-2-9-28-20/h3-4,6-8,10-13,20H,1-2,5,9H2
InChIKeyXSZGOWBYFHAOTE-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.39
Rot. Bonds3

About 3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine

3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine (PubChem CID 71253405) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine
PubChem CID71253405
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine
SMILESFc1cc(-c2nn(C3CCCCO3)c3cnc(-c4cccnc4)cc23)ccn1
InChIInChI=1S/C21H18FN5O/c22-19-10-14(6-8-24-19)21-16-11-17(15-4-3-7-23-12-15)25-13-18(16)27(26-21)20-5-1-2-9-28-20/h3-4,6-8,10-13,20H,1-2,5,9H2
InChIKeyXSZGOWBYFHAOTE-UHFFFAOYSA-N
XLogP4.39
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine (CID 71253405) is 3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine is Fc1cc(-c2nn(C3CCCCO3)c3cnc(-c4cccnc4)cc23)ccn1.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine?
The InChIKey is XSZGOWBYFHAOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c22-19-10-14(6-8-24-19)21-16-11-17(15-4-3-7-23-12-15)25-13-18(16)27(26-21)20-5-1-2-9-28-20/h3-4,6-8,10-13,20H,1-2,5,9H2.
What are the key properties of 3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine?
3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine has a molecular weight of 375.41 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyridinyl)-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).