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

C24H19FN6O — CID 58404705

IUPAC3-[2-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3cn(-c4ccccc4F)nc3C)c12
InChIInChI=1S/C24H19FN6O/c1-16-18(14-30(28-16)22-7-5-4-6-21(22)25)9-8-17-11-27-31-15-19(10-23(32-3)24(17)31)20-12-26-29(2)13-20/h4-7,10-15H,1-3H3
InChIKeyNWJKFPHXQAARPU-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.78
Rot. Bonds3

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

3-[2-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 58404705) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is 3-[2-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[2-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID58404705
Molecular FormulaC24H19FN6O
Molecular Weight426.46 g/mol
Exact Mass426.16
IUPAC Name3-[2-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3cn(-c4ccccc4F)nc3C)c12
InChIInChI=1S/C24H19FN6O/c1-16-18(14-30(28-16)22-7-5-4-6-21(22)25)9-8-17-11-27-31-15-19(10-23(32-3)24(17)31)20-12-26-29(2)13-20/h4-7,10-15H,1-3H3
InChIKeyNWJKFPHXQAARPU-UHFFFAOYSA-N
XLogP3.78
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[2-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (CID 58404705) is 3-[2-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[2-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[2-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is COc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3cn(-c4ccccc4F)nc3C)c12.
What is the InChIKey of 3-[2-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is NWJKFPHXQAARPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c1-16-18(14-30(28-16)22-7-5-4-6-21(22)25)9-8-17-11-27-31-15-19(10-23(32-3)24(17)31)20-12-26-29(2)13-20/h4-7,10-15H,1-3H3.
What are the key properties of 3-[2-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
3-[2-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 426.46 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 58404705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).