[1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

C18H16ClN3O3 — CID 43015128

IUPAC[1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)OC(C)C(=O)Nc3ccccc3Cl)cn12
InChIInChI=1S/C18H16ClN3O3/c1-11-6-5-9-16-20-15(10-22(11)16)18(24)25-12(2)17(23)21-14-8-4-3-7-13(14)19/h3-10,12H,1-2H3,(H,21,23)
InChIKeyGDNMGZGNFJKDNR-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.48
Rot. Bonds4

About [1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

[1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 43015128) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is [1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID43015128
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name[1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)OC(C)C(=O)Nc3ccccc3Cl)cn12
InChIInChI=1S/C18H16ClN3O3/c1-11-6-5-9-16-20-15(10-22(11)16)18(24)25-12(2)17(23)21-14-8-4-3-7-13(14)19/h3-10,12H,1-2H3,(H,21,23)
InChIKeyGDNMGZGNFJKDNR-UHFFFAOYSA-N
XLogP3.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246853
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605270
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 41197855
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 4613868
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate
CID 46617014
[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 23860175
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477035
[1-(2-chloroanilino)-1-oxopropan-2-yl] 6-methylpyridine-3-carboxylate
CID 18149708
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226287
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 8976815
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 3-aminobenzoate
CID 95325839
[1-(2-chloroanilino)-1-oxopropan-2-yl] 3-aminobenzoate
CID 23887959

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 43015128) is [1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1cccc2nc(C(=O)OC(C)C(=O)Nc3ccccc3Cl)cn12.
What is the InChIKey of [1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is GDNMGZGNFJKDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-11-6-5-9-16-20-15(10-22(11)16)18(24)25-12(2)17(23)21-14-8-4-3-7-13(14)19/h3-10,12H,1-2H3,(H,21,23).
What are the key properties of [1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
[1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 357.80 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 43015128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).