1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H26N4O4 — CID 109075591

IUPAC1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2nc(C(=O)NCC3CCCO3)n3c2CCCC3)cc1
InChIInChI=1S/C21H26N4O4/c1-28-15-9-7-14(8-10-15)23-20(26)18-17-6-2-3-11-25(17)19(24-18)21(27)22-13-16-5-4-12-29-16/h7-10,16H,2-6,11-13H2,1H3,(H,22,27)(H,23,26)
InChIKeyNXEHHIMJOXYEMM-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.39
Rot. Bonds6

About 1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109075591) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109075591
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2nc(C(=O)NCC3CCCO3)n3c2CCCC3)cc1
InChIInChI=1S/C21H26N4O4/c1-28-15-9-7-14(8-10-15)23-20(26)18-17-6-2-3-11-25(17)19(24-18)21(27)22-13-16-5-4-12-29-16/h7-10,16H,2-6,11-13H2,1H3,(H,22,27)(H,23,26)
InChIKeyNXEHHIMJOXYEMM-UHFFFAOYSA-N
XLogP2.39
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-(4-fluorophenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075588
1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075581
3-N-cyclopentyl-1-N-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074492
1-N-(oxolan-2-ylmethyl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075509
1-N-(4-methoxyphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077026
1-N-[2-(dimethylamino)ethyl]-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075546
3-N-(2-ethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075533
3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075532
3-N-cyclohexyl-1-N-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074806
3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069504
N-(4-methoxyphenyl)-1-(4-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074865
3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109075517

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109075591) is 1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is COc1ccc(NC(=O)c2nc(C(=O)NCC3CCCO3)n3c2CCCC3)cc1.
What is the InChIKey of 1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is NXEHHIMJOXYEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-28-15-9-7-14(8-10-15)23-20(26)18-17-6-2-3-11-25(17)19(24-18)21(27)22-13-16-5-4-12-29-16/h7-10,16H,2-6,11-13H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109075591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).