ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate

C27H21N3O2 — CID 25262646

IUPACethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccn3c(-c4ccnc(-c5ccccc5)c4)cnc3c2)cc1
InChIInChI=1S/C27H21N3O2/c1-2-32-27(31)21-10-8-19(9-11-21)22-13-15-30-25(18-29-26(30)17-22)23-12-14-28-24(16-23)20-6-4-3-5-7-20/h3-18H,2H2,1H3
InChIKeyAQFRVPUDLSFZME-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.91
Rot. Bonds5

About ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate

ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate (PubChem CID 25262646) has the molecular formula C27H21N3O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate
PubChem CID25262646
Molecular FormulaC27H21N3O2
Molecular Weight419.48 g/mol
Exact Mass419.16
IUPAC Nameethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccn3c(-c4ccnc(-c5ccccc5)c4)cnc3c2)cc1
InChIInChI=1S/C27H21N3O2/c1-2-32-27(31)21-10-8-19(9-11-21)22-13-15-30-25(18-29-26(30)17-22)23-12-14-28-24(16-23)20-6-4-3-5-7-20/h3-18H,2H2,1H3
InChIKeyAQFRVPUDLSFZME-UHFFFAOYSA-N
XLogP5.91
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate
CID 25176705
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 68522242
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 56593407
ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate
CID 46210366
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine
CID 56593403
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone
CID 25260631

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate?
The IUPAC name of ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate (CID 25262646) is ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate.
What is the SMILES notation for ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate?
The canonical SMILES for ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate is CCOC(=O)c1ccc(-c2ccn3c(-c4ccnc(-c5ccccc5)c4)cnc3c2)cc1.
What is the InChIKey of ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate?
The InChIKey is AQFRVPUDLSFZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2/c1-2-32-27(31)21-10-8-19(9-11-21)22-13-15-30-25(18-29-26(30)17-22)23-12-14-28-24(16-23)20-6-4-3-5-7-20/h3-18H,2H2,1H3.
What are the key properties of ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate?
ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate has a molecular weight of 419.48 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate is sourced from PubChem (CID 25262646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).