3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

C19H15FN8O — CID 58404917

IUPAC3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(-c3cn(-c4cccnc4F)nn3)c12
InChIInChI=1S/C19H15FN8O/c1-26-9-13(7-22-26)12-6-17(29-2)18-14(8-23-28(18)10-12)15-11-27(25-24-15)16-4-3-5-21-19(16)20/h3-11H,1-2H3
InChIKeyIPSJYBARDWYDTQ-UHFFFAOYSA-N
MW390.38 g/mol
LogP2.53
Rot. Bonds4

About 3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 58404917) has the molecular formula C19H15FN8O and a molecular weight of 390.38 g/mol. Its IUPAC name is 3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID58404917
Molecular FormulaC19H15FN8O
Molecular Weight390.38 g/mol
Exact Mass390.14
IUPAC Name3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(-c3cn(-c4cccnc4F)nn3)c12
InChIInChI=1S/C19H15FN8O/c1-26-9-13(7-22-26)12-6-17(29-2)18-14(8-23-28(18)10-12)15-11-27(25-24-15)16-4-3-5-21-19(16)20/h3-11H,1-2H3
InChIKeyIPSJYBARDWYDTQ-UHFFFAOYSA-N
XLogP2.53
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (CID 58404917) is 3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is COc1cc(-c2cnn(C)c2)cn2ncc(-c3cn(-c4cccnc4F)nn3)c12.
What is the InChIKey of 3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is IPSJYBARDWYDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN8O/c1-26-9-13(7-22-26)12-6-17(29-2)18-14(8-23-28(18)10-12)15-11-27(25-24-15)16-4-3-5-21-19(16)20/h3-11H,1-2H3.
What are the key properties of 3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 390.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 58404917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).