ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate

C16H14N2O2 — CID 59419625

IUPACethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccn2c(-c3ccccc3)ncc2c1
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)13-8-9-18-14(10-13)11-17-15(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyJWPRAHSNYPRTAI-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.18
Rot. Bonds3

About ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate

ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 59419625) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate
PubChem CID59419625
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccn2c(-c3ccccc3)ncc2c1
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)13-8-9-18-14(10-13)11-17-15(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyJWPRAHSNYPRTAI-UHFFFAOYSA-N
XLogP3.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-phenylpyrazolo[1,5-a]pyridine-5-carboxylate
CID 46223052
methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate
CID 117145201
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 2,3-dibromoindolizine-7-carboxylate
CID 102279056
ethyl 4-azulen-2-ylbenzoate
CID 122206706
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 123942366
ethyl 3-(3-methoxy-4-nitrobenzoyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 11852091
ethyl 7-benzoylindolizine-2-carboxylate
CID 71386260
CID 158970570
CID 158970570
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-(5-methyl-2-pyridinyl)benzoate
CID 71746517

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate (CID 59419625) is ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate is CCOC(=O)c1ccn2c(-c3ccccc3)ncc2c1.
What is the InChIKey of ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is JWPRAHSNYPRTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-16(19)13-8-9-18-14(10-13)11-17-15(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate?
ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 59419625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).