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

C17H26N4O4S — CID 109072301

IUPAC1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCNC(=O)c1nc(C(=O)N(C)C2CCS(=O)(=O)C2)c2n1CCCC2
InChIInChI=1S/C17H26N4O4S/c1-3-8-18-16(22)15-19-14(13-6-4-5-9-21(13)15)17(23)20(2)12-7-10-26(24,25)11-12/h12H,3-11H2,1-2H3,(H,18,22)
InChIKeyUHOCDLZRWOJWGS-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.62
Rot. Bonds5

About 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

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 (PubChem CID 109072301) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109072301
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCNC(=O)c1nc(C(=O)N(C)C2CCS(=O)(=O)C2)c2n1CCCC2
InChIInChI=1S/C17H26N4O4S/c1-3-8-18-16(22)15-19-14(13-6-4-5-9-21(13)15)17(23)20(2)12-7-10-26(24,25)11-12/h12H,3-11H2,1-2H3,(H,18,22)
InChIKeyUHOCDLZRWOJWGS-UHFFFAOYSA-N
XLogP0.62
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(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-butyl-1-N,1-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073518
3-N-prop-2-enyl-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072098
3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075704
1-N-(2-morpholin-4-ylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072268
3-N-[3-(dimethylamino)propyl]-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075840
3-N-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073463
1-N-[(4-methylphenyl)methyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072278
1-N-butyl-3-N-(2-methoxyethyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075107
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-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072609

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCNC(=O)c1nc(C(=O)N(C)C2CCS(=O)(=O)C2)c2n1CCCC2.
What is the InChIKey of 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?
The InChIKey is UHOCDLZRWOJWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-3-8-18-16(22)15-19-14(13-6-4-5-9-21(13)15)17(23)20(2)12-7-10-26(24,25)11-12/h12H,3-11H2,1-2H3,(H,18,22).
What are the key properties of 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?
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 has a molecular weight of 382.49 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 109072301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).