2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol

C20H16FN3O — CID 155115191

IUPAC2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol
SMILESCCc1ncccc1-c1nc(-c2cc(F)ccc2O)n2ccccc12
InChIInChI=1S/C20H16FN3O/c1-2-16-14(6-5-10-22-16)19-17-7-3-4-11-24(17)20(23-19)15-12-13(21)8-9-18(15)25/h3-12,25H,2H2,1H3
InChIKeyMQVNPCLIWVBQNF-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.47
Rot. Bonds3

About 2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol

2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol (PubChem CID 155115191) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol
PubChem CID155115191
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol
SMILESCCc1ncccc1-c1nc(-c2cc(F)ccc2O)n2ccccc12
InChIInChI=1S/C20H16FN3O/c1-2-16-14(6-5-10-22-16)19-17-7-3-4-11-24(17)20(23-19)15-12-13(21)8-9-18(15)25/h3-12,25H,2H2,1H3
InChIKeyMQVNPCLIWVBQNF-UHFFFAOYSA-N
XLogP4.47
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol?
The IUPAC name of 2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol (CID 155115191) is 2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol.
What is the SMILES notation for 2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol?
The canonical SMILES for 2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol is CCc1ncccc1-c1nc(-c2cc(F)ccc2O)n2ccccc12.
What is the InChIKey of 2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol?
The InChIKey is MQVNPCLIWVBQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-2-16-14(6-5-10-22-16)19-17-7-3-4-11-24(17)20(23-19)15-12-13(21)8-9-18(15)25/h3-12,25H,2H2,1H3.
What are the key properties of 2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol?
2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol has a molecular weight of 333.37 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethyl-3-pyridinyl)imidazo[1,5-a]pyridin-3-yl]-4-fluorophenol is sourced from PubChem (CID 155115191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).