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

C17H26N4O4S — CID 109072456

IUPAC3-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
SMILESCC(C)NC(=O)c1nc(C(=O)N(C)C2CCS(=O)(=O)C2)n2c1CCCC2
InChIInChI=1S/C17H26N4O4S/c1-11(2)18-16(22)14-13-6-4-5-8-21(13)15(19-14)17(23)20(3)12-7-9-26(24,25)10-12/h11-12H,4-10H2,1-3H3,(H,18,22)
InChIKeyFARVVDVWIPZLQU-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.62
Rot. Bonds4

About 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

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 (PubChem CID 109072456) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID109072456
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name3-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
SMILESCC(C)NC(=O)c1nc(C(=O)N(C)C2CCS(=O)(=O)C2)n2c1CCCC2
InChIInChI=1S/C17H26N4O4S/c1-11(2)18-16(22)14-13-6-4-5-8-21(13)15(19-14)17(23)20(3)12-7-9-26(24,25)10-12/h11-12H,4-10H2,1-3H3,(H,18,22)
InChIKeyFARVVDVWIPZLQU-UHFFFAOYSA-N
XLogP0.62
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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 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 with MolForge

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Related Compounds

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
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
1-(4-methylpiperidine-1-carbonyl)-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109072570
3-N-[(4-chlorophenyl)methyl]-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072439
1-N-(2-methylpropyl)-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073642
1-(4-methylpiperazine-1-carbonyl)-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109072579
3-N-cyclopropyl-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072935
3-N-[2-(dimethylamino)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075708
1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072528
3-N-(2-chlorophenyl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072504
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 71893997

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)NC(=O)c1nc(C(=O)N(C)C2CCS(=O)(=O)C2)n2c1CCCC2.
What is the InChIKey of 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?
The InChIKey is FARVVDVWIPZLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-11(2)18-16(22)14-13-6-4-5-8-21(13)15(19-14)17(23)20(3)12-7-9-26(24,25)10-12/h11-12H,4-10H2,1-3H3,(H,18,22).
What are the key properties of 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?
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 has a molecular weight of 382.49 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 109072456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).