methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate

C20H24N4O4 — CID 109072689

IUPACmethyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2nc(C(=O)NC(C)C)n3c2CCCC3)cc1
InChIInChI=1S/C20H24N4O4/c1-12(2)21-19(26)17-23-16(15-6-4-5-11-24(15)17)18(25)22-14-9-7-13(8-10-14)20(27)28-3/h7-10,12H,4-6,11H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyCEVAUDGJGCHVCP-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.40
Rot. Bonds5

About methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate

methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate (PubChem CID 109072689) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
PubChem CID109072689
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Namemethyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2nc(C(=O)NC(C)C)n3c2CCCC3)cc1
InChIInChI=1S/C20H24N4O4/c1-12(2)21-19(26)17-23-16(15-6-4-5-11-24(15)17)18(25)22-14-9-7-13(8-10-14)20(27)28-3/h7-10,12H,4-6,11H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyCEVAUDGJGCHVCP-UHFFFAOYSA-N
XLogP2.40
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate with MolForge

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Related Compounds

3-N-butan-2-yl-1-N-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074026
1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072685
1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072528
1-N-(2,6-dimethylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072643
3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072711
3-N-propan-2-yl-1-N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072681
1-N-(4-methoxyphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077026
1-N,3-N-diphenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077427
3-N-(3-methoxyphenyl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072516
1-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072640
1-N-(2-methoxy-5-methylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072674
3-N-(4-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073647

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate (CID 109072689) is methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2nc(C(=O)NC(C)C)n3c2CCCC3)cc1.
What is the InChIKey of methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The InChIKey is CEVAUDGJGCHVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-12(2)21-19(26)17-23-16(15-6-4-5-11-24(15)17)18(25)22-14-9-7-13(8-10-14)20(27)28-3/h7-10,12H,4-6,11H2,1-3H3,(H,21,26)(H,22,25).
What are the key properties of methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate has a molecular weight of 384.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 109072689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).