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

C16H24N4O4S — CID 109072609

IUPAC1-N-(1,1-dioxothiolan-3-yl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)NC(=O)c1nc(C(=O)NC2CCS(=O)(=O)C2)c2n1CCCC2
InChIInChI=1S/C16H24N4O4S/c1-10(2)17-16(22)14-19-13(12-5-3-4-7-20(12)14)15(21)18-11-6-8-25(23,24)9-11/h10-11H,3-9H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyJXWCNBJGWIVKOQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.27
Rot. Bonds4

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

1-N-(1,1-dioxothiolan-3-yl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109072609) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-N-(1,1-dioxothiolan-3-yl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,1-dioxothiolan-3-yl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109072609
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name1-N-(1,1-dioxothiolan-3-yl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)NC(=O)c1nc(C(=O)NC2CCS(=O)(=O)C2)c2n1CCCC2
InChIInChI=1S/C16H24N4O4S/c1-10(2)17-16(22)14-19-13(12-5-3-4-7-20(12)14)15(21)18-11-6-8-25(23,24)9-11/h10-11H,3-9H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyJXWCNBJGWIVKOQ-UHFFFAOYSA-N
XLogP0.27
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
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
N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109075437
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
3-N-cycloheptyl-1-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074720
1-N-butan-2-yl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072565
1-(4-methylpiperidine-1-carbonyl)-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109072570
1-(piperidine-1-carbonyl)-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109072568
3-N-[2-(dimethylamino)ethyl]-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072422
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072711
1-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072640

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-3-N-propan-2-yl-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-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109072609) is 1-N-(1,1-dioxothiolan-3-yl)-3-N-propan-2-yl-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-propan-2-yl-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-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)NC(=O)c1nc(C(=O)NC2CCS(=O)(=O)C2)c2n1CCCC2.
What is the InChIKey of 1-N-(1,1-dioxothiolan-3-yl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is JXWCNBJGWIVKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-10(2)17-16(22)14-19-13(12-5-3-4-7-20(12)14)15(21)18-11-6-8-25(23,24)9-11/h10-11H,3-9H2,1-2H3,(H,17,22)(H,18,21).
What are the key properties of 1-N-(1,1-dioxothiolan-3-yl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(1,1-dioxothiolan-3-yl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 368.46 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-dioxothiolan-3-yl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109072609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).