ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate

C21H22N4O4 — CID 109066459

IUPACethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2nc(C(=O)NC(C)C)n3ccccc23)cc1
InChIInChI=1S/C21H22N4O4/c1-4-29-21(28)14-8-10-15(11-9-14)23-19(26)17-16-7-5-6-12-25(16)18(24-17)20(27)22-13(2)3/h5-13H,4H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyYSNMZGDQPSDPDO-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.90
Rot. Bonds6

About ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate

ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate (PubChem CID 109066459) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
PubChem CID109066459
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Nameethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2nc(C(=O)NC(C)C)n3ccccc23)cc1
InChIInChI=1S/C21H22N4O4/c1-4-29-21(28)14-8-10-15(11-9-14)23-19(26)17-16-7-5-6-12-25(16)18(24-17)20(27)22-13(2)3/h5-13H,4H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyYSNMZGDQPSDPDO-UHFFFAOYSA-N
XLogP2.90
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate with MolForge

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Related Compounds

1-N-(4-methylphenyl)-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066397
ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 165367492
3-N-(4-ethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066252
3-N-butan-2-yl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067826
methyl 4-[[3-(2-methoxyethylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109069080
methyl 4-[[3-(diethylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109071028
1-N-(3-chloro-4-methoxyphenyl)-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066429
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109093781
methyl 4-[[1-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-3-carbonyl]amino]benzoate
CID 109066929
3-N-(4-methoxyphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067477
1-N-(4-acetylphenyl)-3-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067357
1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067874

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate (CID 109066459) is ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2nc(C(=O)NC(C)C)n3ccccc23)cc1.
What is the InChIKey of ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The InChIKey is YSNMZGDQPSDPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-4-29-21(28)14-8-10-15(11-9-14)23-19(26)17-16-7-5-6-12-25(16)18(24-17)20(27)22-13(2)3/h5-13H,4H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate has a molecular weight of 394.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 109066459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).