tert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate

C27H26N2O3 — CID 19735668

IUPACtert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate
SMILESCCc1cn2c(C(=O)c3ccc(-c4ccccc4C(=O)OC(C)(C)C)cc3)cccc2n1
InChIInChI=1S/C27H26N2O3/c1-5-20-17-29-23(11-8-12-24(29)28-20)25(30)19-15-13-18(14-16-19)21-9-6-7-10-22(21)26(31)32-27(2,3)4/h6-17H,5H2,1-4H3
InChIKeyRNQAXFVJTFLMAJ-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.75
Rot. Bonds5

About tert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate

tert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate (PubChem CID 19735668) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is tert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate.

Molecular Properties

Compound Nametert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate
PubChem CID19735668
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Nametert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate
SMILESCCc1cn2c(C(=O)c3ccc(-c4ccccc4C(=O)OC(C)(C)C)cc3)cccc2n1
InChIInChI=1S/C27H26N2O3/c1-5-20-17-29-23(11-8-12-24(29)28-20)25(30)19-15-13-18(14-16-19)21-9-6-7-10-22(21)26(31)32-27(2,3)4/h6-17H,5H2,1-4H3
InChIKeyRNQAXFVJTFLMAJ-UHFFFAOYSA-N
XLogP5.75
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Miroprofen
CID 68752
3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine
CID 131857
Zolpidem carboxylic acid
CID 11966044
Ethyl 2-(4-methylphenyl)-alpha-oxoimidazo(1,2-a)pyridine-3-acetate
CID 4962038
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
1-[2-(4-Methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone
CID 974031
[2-(4-Methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 3529980

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate?
The IUPAC name of tert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate (CID 19735668) is tert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate.
What is the SMILES notation for tert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate?
The canonical SMILES for tert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate is CCc1cn2c(C(=O)c3ccc(-c4ccccc4C(=O)OC(C)(C)C)cc3)cccc2n1.
What is the InChIKey of tert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate?
The InChIKey is RNQAXFVJTFLMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-5-20-17-29-23(11-8-12-24(29)28-20)25(30)19-15-13-18(14-16-19)21-9-6-7-10-22(21)26(31)32-27(2,3)4/h6-17H,5H2,1-4H3.
What are the key properties of tert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate?
tert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate has a molecular weight of 426.52 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(2-ethylimidazo[1,2-a]pyridine-5-carbonyl)phenyl]benzoate is sourced from PubChem (CID 19735668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).