3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H24N4O3 — CID 109067480

IUPAC3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nc(C(=O)NCC(C)C)c2ccccn12
InChIInChI=1S/C21H24N4O3/c1-13(2)12-22-20(26)18-16-7-5-6-10-25(16)19(24-18)21(27)23-15-11-14(3)8-9-17(15)28-4/h5-11,13H,12H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyHTAAAQSYDAMCFX-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.29
Rot. Bonds6

About 3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067480) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067480
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nc(C(=O)NCC(C)C)c2ccccn12
InChIInChI=1S/C21H24N4O3/c1-13(2)12-22-20(26)18-16-7-5-6-10-25(16)19(24-18)21(27)23-15-11-14(3)8-9-17(15)28-4/h5-11,13H,12H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyHTAAAQSYDAMCFX-UHFFFAOYSA-N
XLogP3.29
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(2-methoxy-5-methylphenyl)-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066436
1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069254
3-N-(4-methoxyphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067477
3-N-(2-fluorophenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067464
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067474
3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071186
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067421
3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067318
1-N-cyclopropyl-3-N-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066589
3-N-[2-(dimethylamino)ethyl]-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069705
1-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071966
3-N-cyclopropyl-1-N-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066749

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067480) is 3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is COc1ccc(C)cc1NC(=O)c1nc(C(=O)NCC(C)C)c2ccccn12.
What is the InChIKey of 3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is HTAAAQSYDAMCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13(2)12-22-20(26)18-16-7-5-6-10-25(16)19(24-18)21(27)23-15-11-14(3)8-9-17(15)28-4/h5-11,13H,12H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of 3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).