propyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate

C26H25N3O3 — CID 84554905

IUPACpropyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2c(-c3ccc(C)cc3)nc3ccc(C)cn23)cc1
InChIInChI=1S/C26H25N3O3/c1-4-15-32-26(31)20-10-12-21(13-11-20)27-25(30)24-23(19-8-5-17(2)6-9-19)28-22-14-7-18(3)16-29(22)24/h5-14,16H,4,15H2,1-3H3,(H,27,30)
InChIKeyZDOJUMQTPUHYDP-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.44
Rot. Bonds6

About propyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate

propyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate (PubChem CID 84554905) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is propyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate
PubChem CID84554905
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Namepropyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2c(-c3ccc(C)cc3)nc3ccc(C)cn23)cc1
InChIInChI=1S/C26H25N3O3/c1-4-15-32-26(31)20-10-12-21(13-11-20)27-25(30)24-23(19-8-5-17(2)6-9-19)28-22-14-7-18(3)16-29(22)24/h5-14,16H,4,15H2,1-3H3,(H,27,30)
InChIKeyZDOJUMQTPUHYDP-UHFFFAOYSA-N
XLogP5.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(3,4-diethoxyphenyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84555107
N-(2-ethylphenyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84554895
N-(2-hydroxypropyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84556352
N-(5-hydroxynaphthalen-1-yl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84555044
N-(1-hydroxybutan-2-yl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84556389
N-(2,5-dimethoxyphenyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84555059
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754
ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
CID 42271723
propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate
CID 3482413
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]azanium
CID 8588118
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 51331436

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of propyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate (CID 84554905) is propyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for propyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2c(-c3ccc(C)cc3)nc3ccc(C)cn23)cc1.
What is the InChIKey of propyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate?
The InChIKey is ZDOJUMQTPUHYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-4-15-32-26(31)20-10-12-21(13-11-20)27-25(30)24-23(19-8-5-17(2)6-9-19)28-22-14-7-18(3)16-29(22)24/h5-14,16H,4,15H2,1-3H3,(H,27,30).
What are the key properties of propyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate?
propyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate has a molecular weight of 427.50 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 84554905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).