2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine

C22H16FN3 — CID 170158561

IUPAC2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(F)c2ccn(-c3cccc(-c4cn5ccccc5n4)c3)c12
InChIInChI=1S/C22H16FN3/c1-15-8-9-19(23)18-10-12-26(22(15)18)17-6-4-5-16(13-17)20-14-25-11-3-2-7-21(25)24-20/h2-14H,1H3
InChIKeyCITSTDKRBLISJU-UHFFFAOYSA-N
MW341.39 g/mol
LogP5.39
Rot. Bonds2

About 2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine

2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 170158561) has the molecular formula C22H16FN3 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine
PubChem CID170158561
Molecular FormulaC22H16FN3
Molecular Weight341.39 g/mol
Exact Mass341.13
IUPAC Name2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(F)c2ccn(-c3cccc(-c4cn5ccccc5n4)c3)c12
InChIInChI=1S/C22H16FN3/c1-15-8-9-19(23)18-10-12-26(22(15)18)17-6-4-5-16(13-17)20-14-25-11-3-2-7-21(25)24-20/h2-14H,1H3
InChIKeyCITSTDKRBLISJU-UHFFFAOYSA-N
XLogP5.39
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.39
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine (CID 170158561) is 2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine is Cc1ccc(F)c2ccn(-c3cccc(-c4cn5ccccc5n4)c3)c12.
What is the InChIKey of 2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is CITSTDKRBLISJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3/c1-15-8-9-19(23)18-10-12-26(22(15)18)17-6-4-5-16(13-17)20-14-25-11-3-2-7-21(25)24-20/h2-14H,1H3.
What are the key properties of 2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine?
2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 341.39 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-7-methylindol-1-yl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 170158561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).