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

C16H24N4O4S — CID 109072455

IUPAC3-N-(1,1-dioxothiolan-3-yl)-1-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)n2c1CCCC2
InChIInChI=1S/C16H24N4O4S/c1-10(2)17-15(21)13-12-5-3-4-7-20(12)14(19-13)16(22)18-11-6-8-25(23,24)9-11/h10-11H,3-9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyFSKKVPQLOPKBIV-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.27
Rot. Bonds4

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

3-N-(1,1-dioxothiolan-3-yl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109072455) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-N-(1,1-dioxothiolan-3-yl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1,1-dioxothiolan-3-yl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109072455
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name3-N-(1,1-dioxothiolan-3-yl)-1-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)n2c1CCCC2
InChIInChI=1S/C16H24N4O4S/c1-10(2)17-15(21)13-12-5-3-4-7-20(12)14(19-13)16(22)18-11-6-8-25(23,24)9-11/h10-11H,3-9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyFSKKVPQLOPKBIV-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 3-N-(1,1-dioxothiolan-3-yl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide with MolForge

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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
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
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
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-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
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-tert-butyl-3-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074778
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
N-cyclopropyl-1-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109072939
3-N-(2-chlorophenyl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072504

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,1-dioxothiolan-3-yl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 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) is 3-N-(1,1-dioxothiolan-3-yl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1,1-dioxothiolan-3-yl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1,1-dioxothiolan-3-yl)-1-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)n2c1CCCC2.
What is the InChIKey of 3-N-(1,1-dioxothiolan-3-yl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is FSKKVPQLOPKBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-10(2)17-15(21)13-12-5-3-4-7-20(12)14(19-13)16(22)18-11-6-8-25(23,24)9-11/h10-11H,3-9H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 3-N-(1,1-dioxothiolan-3-yl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(1,1-dioxothiolan-3-yl)-1-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 3-N-(1,1-dioxothiolan-3-yl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109072455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).