1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H22N4O4 — CID 109076117

IUPAC1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1nc(C(=O)NCc2ccco2)c2n1CCCC2
InChIInChI=1S/C21H22N4O4/c1-28-17-10-3-2-8-15(17)23-21(27)19-24-18(16-9-4-5-11-25(16)19)20(26)22-13-14-7-6-12-29-14/h2-3,6-8,10,12H,4-5,9,11,13H2,1H3,(H,22,26)(H,23,27)
InChIKeyPSHNYHGFBLPJGH-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.00
Rot. Bonds6

About 1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076117) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076117
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1nc(C(=O)NCc2ccco2)c2n1CCCC2
InChIInChI=1S/C21H22N4O4/c1-28-17-10-3-2-8-15(17)23-21(27)19-24-18(16-9-4-5-11-25(16)19)20(26)22-13-14-7-6-12-29-14/h2-3,6-8,10,12H,4-5,9,11,13H2,1H3,(H,22,26)(H,23,27)
InChIKeyPSHNYHGFBLPJGH-UHFFFAOYSA-N
XLogP3.00
TPSA98.39 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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide 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

3-N-(2,4-dimethylphenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076103
1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076099
3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076123
1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076161
1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072521
1-N-(2-ethoxyphenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075149
N-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551110
methyl 2-[[1-(2-methylpropylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]amino]benzoate
CID 109073690
1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077128
1-N-(2-chlorophenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075138
3-N-(2-chlorophenyl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072504
3-N-(2-methoxy-5-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077080

Frequently Asked Questions

What is the IUPAC name of 1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076117) is 1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is COc1ccccc1NC(=O)c1nc(C(=O)NCc2ccco2)c2n1CCCC2.
What is the InChIKey of 1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is PSHNYHGFBLPJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-28-17-10-3-2-8-15(17)23-21(27)19-24-18(16-9-4-5-11-25(16)19)20(26)22-13-14-7-6-12-29-14/h2-3,6-8,10,12H,4-5,9,11,13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).