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

C19H14FN5O — CID 58404804

IUPAC3-[2-(6-fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3ccc(F)nc3)c12
InChIInChI=1S/C19H14FN5O/c1-24-11-16(10-22-24)15-7-17(26-2)19-14(9-23-25(19)12-15)5-3-13-4-6-18(20)21-8-13/h4,6-12H,1-2H3
InChIKeyBDHPXHCVMWZCAT-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.68
Rot. Bonds2

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

3-[2-(6-fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 58404804) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 3-[2-(6-fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[2-(6-fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID58404804
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name3-[2-(6-fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3ccc(F)nc3)c12
InChIInChI=1S/C19H14FN5O/c1-24-11-16(10-22-24)15-7-17(26-2)19-14(9-23-25(19)12-15)5-3-13-4-6-18(20)21-8-13/h4,6-12H,1-2H3
InChIKeyBDHPXHCVMWZCAT-UHFFFAOYSA-N
XLogP2.68
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[2-(6-fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (CID 58404804) is 3-[2-(6-fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[2-(6-fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[2-(6-fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is COc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3ccc(F)nc3)c12.
What is the InChIKey of 3-[2-(6-fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is BDHPXHCVMWZCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c1-24-11-16(10-22-24)15-7-17(26-2)19-14(9-23-25(19)12-15)5-3-13-4-6-18(20)21-8-13/h4,6-12H,1-2H3.
What are the key properties of 3-[2-(6-fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
3-[2-(6-fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 347.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 58404804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).