ethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate

C22H18FN3O2 — CID 86715509

IUPACethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12
InChIInChI=1S/C22H18FN3O2/c1-3-28-22(27)21-25-12-17-8-6-16(13-26(17)21)18-5-4-10-24-20(18)15-7-9-19(23)14(2)11-15/h4-13H,3H2,1-2H3
InChIKeyJFGYGOJNBJISCP-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.69
Rot. Bonds4

About ethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate

ethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate (PubChem CID 86715509) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is ethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate
PubChem CID86715509
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Nameethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12
InChIInChI=1S/C22H18FN3O2/c1-3-28-22(27)21-25-12-17-8-6-16(13-26(17)21)18-5-4-10-24-20(18)15-7-9-19(23)14(2)11-15/h4-13H,3H2,1-2H3
InChIKeyJFGYGOJNBJISCP-UHFFFAOYSA-N
XLogP4.69
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate (CID 86715509) is ethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1ncc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12.
What is the InChIKey of ethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate?
The InChIKey is JFGYGOJNBJISCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-3-28-22(27)21-25-12-17-8-6-16(13-26(17)21)18-5-4-10-24-20(18)15-7-9-19(23)14(2)11-15/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate?
ethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate has a molecular weight of 375.40 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 86715509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).