N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C17H24N4O5S — CID 109075437

About N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109075437) has the molecular formula C17H24N4O5S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 109075437
• Molecular Formula: C17H24N4O5S
• Molecular Weight: 396.47 g/mol
• Exact Mass: 396.15
• IUPAC Name: N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: O=C(NC1CCS(=O)(=O)C1)c1nc(C(=O)N2CCOCC2)n2c1CCCC2
• InChI: InChI=1S/C17H24N4O5S/c22-16(18-12-4-10-27(24,25)11-12)14-13-3-1-2-5-21(13)15(19-14)17(23)20-6-8-26-9-7-20/h12H,1-11H2,(H,18,22)
• InChIKey: SBTPCSXHKKEFFD-UHFFFAOYSA-N
• XLogP: -0.39
• TPSA: 110.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.47
LogP ≤ 5	-0.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109075437) is N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1nc(C(=O)N2CCOCC2)n2c1CCCC2.

What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is SBTPCSXHKKEFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S/c22-16(18-12-4-10-27(24,25)11-12)14-13-3-1-2-5-21(13)15(19-14)17(23)20-6-8-26-9-7-20/h12H,1-11H2,(H,18,22).

What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 396.47 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,1-dioxothiolan-3-yl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109075437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).