2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine

C23H18FN3 — CID 142781489

IUPAC2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine
SMILESFCc1cccc(C#CCCc2ccc(-c3cn4ccccc4n3)cc2)n1
InChIInChI=1S/C23H18FN3/c24-16-21-9-5-8-20(25-21)7-2-1-6-18-11-13-19(14-12-18)22-17-27-15-4-3-10-23(27)26-22/h3-5,8-15,17H,1,6,16H2
InChIKeyGVZUOQKWMWCHBR-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.85
Rot. Bonds4

About 2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine

2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 142781489) has the molecular formula C23H18FN3 and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine
PubChem CID142781489
Molecular FormulaC23H18FN3
Molecular Weight355.42 g/mol
Exact Mass355.15
IUPAC Name2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine
SMILESFCc1cccc(C#CCCc2ccc(-c3cn4ccccc4n3)cc2)n1
InChIInChI=1S/C23H18FN3/c24-16-21-9-5-8-20(25-21)7-2-1-6-18-11-13-19(14-12-18)22-17-27-15-4-3-10-23(27)26-22/h3-5,8-15,17H,1,6,16H2
InChIKeyGVZUOQKWMWCHBR-UHFFFAOYSA-N
XLogP4.85
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine (CID 142781489) is 2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine is FCc1cccc(C#CCCc2ccc(-c3cn4ccccc4n3)cc2)n1.
What is the InChIKey of 2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is GVZUOQKWMWCHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3/c24-16-21-9-5-8-20(25-21)7-2-1-6-18-11-13-19(14-12-18)22-17-27-15-4-3-10-23(27)26-22/h3-5,8-15,17H,1,6,16H2.
What are the key properties of 2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine?
2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 355.42 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 142781489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).