ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate

C25H22N4O4 — CID 165367492

IUPACethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2nc(C(=O)NCc3ccccc3)n3ccccc23)cc1
InChIInChI=1S/C25H22N4O4/c1-2-33-25(32)18-11-13-19(14-12-18)27-23(30)21-20-10-6-7-15-29(20)22(28-21)24(31)26-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,26,31)(H,27,30)
InChIKeyWPWQDRRJNPHHRG-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.69
Rot. Bonds7

About ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate

ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate (PubChem CID 165367492) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
PubChem CID165367492
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Nameethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2nc(C(=O)NCc3ccccc3)n3ccccc23)cc1
InChIInChI=1S/C25H22N4O4/c1-2-33-25(32)18-11-13-19(14-12-18)27-23(30)21-20-10-6-7-15-29(20)22(28-21)24(31)26-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,26,31)(H,27,30)
InChIKeyWPWQDRRJNPHHRG-UHFFFAOYSA-N
XLogP3.69
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate with MolForge

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Related Compounds

3-N-benzyl-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070283
ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109066459
1-N-benzyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070239
3-N-benzyl-1-N-(2-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070292
methyl 4-[[3-(2-methoxyethylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109069080
3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070723
1-N-(3-methylphenyl)-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070366
3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070297
methyl 4-[[3-(diethylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109071028
1-N-(4-acetylphenyl)-3-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067357
3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877
methyl 4-[[1-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-3-carbonyl]amino]benzoate
CID 109066929

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate (CID 165367492) is ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2nc(C(=O)NCc3ccccc3)n3ccccc23)cc1.
What is the InChIKey of ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The InChIKey is WPWQDRRJNPHHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-2-33-25(32)18-11-13-19(14-12-18)27-23(30)21-20-10-6-7-15-29(20)22(28-21)24(31)26-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,26,31)(H,27,30).
What are the key properties of ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate has a molecular weight of 442.48 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 165367492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).