1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H20N4O3 — CID 109070124

IUPAC1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NCc1ccco1)c1nc(C(=O)NCCc2ccccc2)n2ccccc12
InChIInChI=1S/C22H20N4O3/c27-21(24-15-17-9-6-14-29-17)19-18-10-4-5-13-26(18)20(25-19)22(28)23-12-11-16-7-2-1-3-8-16/h1-10,13-14H,11-12,15H2,(H,23,28)(H,24,27)
InChIKeyQEDWLCOKQQDBEK-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.83
Rot. Bonds7

About 1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070124) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070124
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NCc1ccco1)c1nc(C(=O)NCCc2ccccc2)n2ccccc12
InChIInChI=1S/C22H20N4O3/c27-21(24-15-17-9-6-14-29-17)19-18-10-4-5-13-26(18)20(25-19)22(28)23-12-11-16-7-2-1-3-8-16/h1-10,13-14H,11-12,15H2,(H,23,28)(H,24,27)
InChIKeyQEDWLCOKQQDBEK-UHFFFAOYSA-N
XLogP2.83
TPSA88.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068870
3-N-(furan-2-ylmethyl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070188
1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070128
1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069770
3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070118
1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068569
1-N-tert-butyl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070790
3-N-(furan-2-ylmethyl)-1-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070210
1-N-butan-2-yl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067673
3-ethyl-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674625
3-N-(2,4-dimethylphenyl)-1-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070141
3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070788

Frequently Asked Questions

What is the IUPAC name of 1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070124) is 1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(NCc1ccco1)c1nc(C(=O)NCCc2ccccc2)n2ccccc12.
What is the InChIKey of 1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is QEDWLCOKQQDBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-21(24-15-17-9-6-14-29-17)19-18-10-4-5-13-26(18)20(25-19)22(28)23-12-11-16-7-2-1-3-8-16/h1-10,13-14H,11-12,15H2,(H,23,28)(H,24,27).
What are the key properties of 1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).