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

C20H19FN6O — CID 71253439

IUPAC3-(6-fluoro-2-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESCn1cc(-c2cc3c(-c4cccc(F)n4)nn(C4CCCCO4)c3cn2)cn1
InChIInChI=1S/C20H19FN6O/c1-26-12-13(10-23-26)16-9-14-17(11-22-16)27(19-7-2-3-8-28-19)25-20(14)15-5-4-6-18(21)24-15/h4-6,9-12,19H,2-3,7-8H2,1H3
InChIKeyAIUUALIRAFABLB-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.73
Rot. Bonds3

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

3-(6-fluoro-2-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (PubChem CID 71253439) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-(6-fluoro-2-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(6-fluoro-2-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
PubChem CID71253439
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name3-(6-fluoro-2-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESCn1cc(-c2cc3c(-c4cccc(F)n4)nn(C4CCCCO4)c3cn2)cn1
InChIInChI=1S/C20H19FN6O/c1-26-12-13(10-23-26)16-9-14-17(11-22-16)27(19-7-2-3-8-28-19)25-20(14)15-5-4-6-18(21)24-15/h4-6,9-12,19H,2-3,7-8H2,1H3
InChIKeyAIUUALIRAFABLB-UHFFFAOYSA-N
XLogP3.73
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
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-(6-fluoro-2-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(6-fluoro-2-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (CID 71253439) is 3-(6-fluoro-2-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(6-fluoro-2-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(6-fluoro-2-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is Cn1cc(-c2cc3c(-c4cccc(F)n4)nn(C4CCCCO4)c3cn2)cn1.
What is the InChIKey of 3-(6-fluoro-2-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The InChIKey is AIUUALIRAFABLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-26-12-13(10-23-26)16-9-14-17(11-22-16)27(19-7-2-3-8-28-19)25-20(14)15-5-4-6-18(21)24-15/h4-6,9-12,19H,2-3,7-8H2,1H3.
What are the key properties of 3-(6-fluoro-2-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
3-(6-fluoro-2-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine has a molecular weight of 378.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).