7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine

C25H18FN3 — CID 90094854

IUPAC7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine
SMILESCc1cc(-c2ncccc2-c2ccn3c(-c4ccccc4)ncc3c2)ccc1F
InChIInChI=1S/C25H18FN3/c1-17-14-20(9-10-23(17)26)24-22(8-5-12-27-24)19-11-13-29-21(15-19)16-28-25(29)18-6-3-2-4-7-18/h2-16H,1H3
InChIKeyXRGQJCCYKHBQPV-UHFFFAOYSA-N
MW379.44 g/mol
LogP6.18
Rot. Bonds3

About 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine

7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine (PubChem CID 90094854) has the molecular formula C25H18FN3 and a molecular weight of 379.44 g/mol. Its IUPAC name is 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine
PubChem CID90094854
Molecular FormulaC25H18FN3
Molecular Weight379.44 g/mol
Exact Mass379.15
IUPAC Name7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine
SMILESCc1cc(-c2ncccc2-c2ccn3c(-c4ccccc4)ncc3c2)ccc1F
InChIInChI=1S/C25H18FN3/c1-17-14-20(9-10-23(17)26)24-22(8-5-12-27-24)19-11-13-29-21(15-19)16-28-25(29)18-6-3-2-4-7-18/h2-16H,1H3
InChIKeyXRGQJCCYKHBQPV-UHFFFAOYSA-N
XLogP6.18
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.44
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine?
The IUPAC name of 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine (CID 90094854) is 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine.
What is the SMILES notation for 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine?
The canonical SMILES for 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine is Cc1cc(-c2ncccc2-c2ccn3c(-c4ccccc4)ncc3c2)ccc1F.
What is the InChIKey of 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine?
The InChIKey is XRGQJCCYKHBQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3/c1-17-14-20(9-10-23(17)26)24-22(8-5-12-27-24)19-11-13-29-21(15-19)16-28-25(29)18-6-3-2-4-7-18/h2-16H,1H3.
What are the key properties of 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine?
7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine has a molecular weight of 379.44 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine is sourced from PubChem (CID 90094854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).