5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine

C21H17F2N5O — CID 71253531

IUPAC5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESFc1cncc(-c2cc3c(-c4cccc(F)n4)nn(C4CCCCO4)c3cn2)c1
InChIInChI=1S/C21H17F2N5O/c22-14-8-13(10-24-11-14)17-9-15-18(12-25-17)28(20-6-1-2-7-29-20)27-21(15)16-4-3-5-19(23)26-16/h3-5,8-12,20H,1-2,6-7H2
InChIKeyMLSATNKRYBIJAQ-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.53
Rot. Bonds3

About 5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine

5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (PubChem CID 71253531) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
PubChem CID71253531
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESFc1cncc(-c2cc3c(-c4cccc(F)n4)nn(C4CCCCO4)c3cn2)c1
InChIInChI=1S/C21H17F2N5O/c22-14-8-13(10-24-11-14)17-9-15-18(12-25-17)28(20-6-1-2-7-29-20)27-21(15)16-4-3-5-19(23)26-16/h3-5,8-12,20H,1-2,6-7H2
InChIKeyMLSATNKRYBIJAQ-UHFFFAOYSA-N
XLogP4.53
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.53
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 5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (CID 71253531) is 5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is Fc1cncc(-c2cc3c(-c4cccc(F)n4)nn(C4CCCCO4)c3cn2)c1.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The InChIKey is MLSATNKRYBIJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c22-14-8-13(10-24-11-14)17-9-15-18(12-25-17)28(20-6-1-2-7-29-20)27-21(15)16-4-3-5-19(23)26-16/h3-5,8-12,20H,1-2,6-7H2.
What are the key properties of 5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine has a molecular weight of 393.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).