3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H22N4O4 — CID 109069504

IUPAC3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2nc(C(=O)NCC3CCCO3)c3ccccn23)cc1
InChIInChI=1S/C21H22N4O4/c1-28-15-9-7-14(8-10-15)23-21(27)19-24-18(17-6-2-3-11-25(17)19)20(26)22-13-16-5-4-12-29-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyGKKRCVCITHDLRG-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.50
Rot. Bonds6

About 3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109069504) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109069504
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2nc(C(=O)NCC3CCCO3)c3ccccn23)cc1
InChIInChI=1S/C21H22N4O4/c1-28-15-9-7-14(8-10-15)23-21(27)19-24-18(17-6-2-3-11-25(17)19)20(26)22-13-16-5-4-12-29-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyGKKRCVCITHDLRG-UHFFFAOYSA-N
XLogP2.50
TPSA93.96 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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069484
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069566
3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069475
1-N-cyclohexyl-3-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068614
3-N-(4-methoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065963
3-N-(4-methoxyphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067477
1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075591
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
3-N-(furan-2-ylmethyl)-1-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070210
3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071776
4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide
CID 97442207
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109069504) is 3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is COc1ccc(NC(=O)c2nc(C(=O)NCC3CCCO3)c3ccccn23)cc1.
What is the InChIKey of 3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is GKKRCVCITHDLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-28-15-9-7-14(8-10-15)23-21(27)19-24-18(17-6-2-3-11-25(17)19)20(26)22-13-16-5-4-12-29-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109069504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).