[4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate

C23H19N3O3 — CID 40576074

IUPAC[4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)OCc3ccc(C(=O)Nc4ccccc4)cc3)cn12
InChIInChI=1S/C23H19N3O3/c1-16-6-5-9-21-25-20(14-26(16)21)23(28)29-15-17-10-12-18(13-11-17)22(27)24-19-7-3-2-4-8-19/h2-14H,15H2,1H3,(H,24,27)
InChIKeySEECSAUDGGACKW-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.25
Rot. Bonds5

About [4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate

[4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 40576074) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID40576074
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name[4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)OCc3ccc(C(=O)Nc4ccccc4)cc3)cn12
InChIInChI=1S/C23H19N3O3/c1-16-6-5-9-21-25-20(14-26(16)21)23(28)29-15-17-10-12-18(13-11-17)22(27)24-19-7-3-2-4-8-19/h2-14H,15H2,1H3,(H,24,27)
InChIKeySEECSAUDGGACKW-UHFFFAOYSA-N
XLogP4.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 8634406
[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate
CID 7723510
5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 43236612
N-[3-(hydroxymethyl)phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 60630109
[4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate
CID 7665240
N-(3-acetamidophenyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 26114454
(3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 75412698
[4-(phenylcarbamoyl)phenyl]methyl 2-methylsulfonylbenzoate
CID 7724467
[4-(phenylcarbamoyl)phenyl]methyl (E)-but-2-enoate
CID 7981070
[3-(benzylcarbamoyl)phenyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55343003
[4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate
CID 46428826
[4-(phenylcarbamoyl)phenyl]methyl 6-chloropyridine-3-carboxylate
CID 8017399

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 40576074) is [4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1cccc2nc(C(=O)OCc3ccc(C(=O)Nc4ccccc4)cc3)cn12.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is SEECSAUDGGACKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-16-6-5-9-21-25-20(14-26(16)21)23(28)29-15-17-10-12-18(13-11-17)22(27)24-19-7-3-2-4-8-19/h2-14H,15H2,1H3,(H,24,27).
What are the key properties of [4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
[4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 40576074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).