methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate

C22H17N3O3 — CID 108801388

IUPACmethyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccn3cc(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C22H17N3O3/c1-28-22(27)16-7-9-18(10-8-16)23-21(26)17-11-12-25-14-19(24-20(25)13-17)15-5-3-2-4-6-15/h2-14H,1H3,(H,23,26)
InChIKeyQJOXMJSCAOLHCY-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.04
Rot. Bonds4

About methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate

methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate (PubChem CID 108801388) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
PubChem CID108801388
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Namemethyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccn3cc(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C22H17N3O3/c1-28-22(27)16-7-9-18(10-8-16)23-21(26)17-11-12-25-14-19(24-20(25)13-17)15-5-3-2-4-6-15/h2-14H,1H3,(H,23,26)
InChIKeyQJOXMJSCAOLHCY-UHFFFAOYSA-N
XLogP4.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate 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

methyl 3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
CID 108801384
N-(3-acetamidophenyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801394
2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 108810602
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 121089744
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108810689
N-(5-acetamido-2-methylphenyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788562
N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788490
N-(2-methylpropyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788420
2-phenyl-N-(3-propan-2-yloxypropyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 108788516
N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801482
butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
CID 108788473
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801371

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate (CID 108801388) is methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccn3cc(-c4ccccc4)nc3c2)cc1.
What is the InChIKey of methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate?
The InChIKey is QJOXMJSCAOLHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-28-22(27)16-7-9-18(10-8-16)23-21(26)17-11-12-25-14-19(24-20(25)13-17)15-5-3-2-4-6-15/h2-14H,1H3,(H,23,26).
What are the key properties of methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate?
methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate has a molecular weight of 371.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate is sourced from PubChem (CID 108801388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).