1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C16H24N4O5S — CID 109075097

IUPAC1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCNC(=O)c1nc(C(=O)NC2CCS(=O)(=O)C2)c2n1CCCC2
InChIInChI=1S/C16H24N4O5S/c1-25-8-6-17-16(22)14-19-13(12-4-2-3-7-20(12)14)15(21)18-11-5-9-26(23,24)10-11/h11H,2-10H2,1H3,(H,17,22)(H,18,21)
InChIKeyWRLLHUPFWHHTIF-UHFFFAOYSA-N
MW384.46 g/mol
LogP-0.49
Rot. Bonds6

About 1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109075097) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109075097
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCNC(=O)c1nc(C(=O)NC2CCS(=O)(=O)C2)c2n1CCCC2
InChIInChI=1S/C16H24N4O5S/c1-25-8-6-17-16(22)14-19-13(12-4-2-3-7-20(12)14)15(21)18-11-5-9-26(23,24)10-11/h11H,2-10H2,1H3,(H,17,22)(H,18,21)
InChIKeyWRLLHUPFWHHTIF-UHFFFAOYSA-N
XLogP-0.49
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(1,1-dioxothiolan-3-yl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072609
3-N-(1,1-dioxothiolan-3-yl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072455
N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109075437
1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109075111
3-N-[3-(dimethylamino)propyl]-1-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074965
3-N-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073463
1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072301
1-N-(2,6-dimethylphenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075123
3-N-(2-methoxyethyl)-1-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075131
1-N-(2-methoxyethyl)-3-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075010
3-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072456
1-N-(2-chlorophenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075138

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109075097) is 1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is COCCNC(=O)c1nc(C(=O)NC2CCS(=O)(=O)C2)c2n1CCCC2.
What is the InChIKey of 1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is WRLLHUPFWHHTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-25-8-6-17-16(22)14-19-13(12-4-2-3-7-20(12)14)15(21)18-11-5-9-26(23,24)10-11/h11H,2-10H2,1H3,(H,17,22)(H,18,21).
What are the key properties of 1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 384.46 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109075097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).