3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C19H18N4O4S — CID 109070870

IUPAC3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1)c1nc(C(=O)NC2CCS(=O)(=O)C2)n2ccccc12
InChIInChI=1S/C19H18N4O4S/c24-18(20-13-6-2-1-3-7-13)16-15-8-4-5-10-23(15)17(22-16)19(25)21-14-9-11-28(26,27)12-14/h1-8,10,14H,9,11-12H2,(H,20,24)(H,21,25)
InChIKeyCWGULGJXMXQAON-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.50
Rot. Bonds4

About 3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070870) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070870
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1)c1nc(C(=O)NC2CCS(=O)(=O)C2)n2ccccc12
InChIInChI=1S/C19H18N4O4S/c24-18(20-13-6-2-1-3-7-13)16-15-8-4-5-10-23(15)17(22-16)19(25)21-14-9-11-28(26,27)12-14/h1-8,10,14H,9,11-12H2,(H,20,24)(H,21,25)
InChIKeyCWGULGJXMXQAON-UHFFFAOYSA-N
XLogP1.50
TPSA109.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide with MolForge

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Related Compounds

methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109066768
3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066771
3-N-cyclohexyl-1-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068157
3-N-(4-tert-butylphenyl)-1-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066574
1-N-(3-chloro-4-fluorophenyl)-3-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066744
1-N-cyclohexyl-3-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068614
1-(4-methylpiperidine-1-carbonyl)-N-phenylimidazo[1,5-a]pyridine-3-carboxamide
CID 109068726
3-N-cyclopropyl-1-N-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066749
1-N-benzyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070239
3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 75768802
3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071048
N-cyclopropyl-1-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109066655

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070870) is 3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(Nc1ccccc1)c1nc(C(=O)NC2CCS(=O)(=O)C2)n2ccccc12.
What is the InChIKey of 3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is CWGULGJXMXQAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c24-18(20-13-6-2-1-3-7-13)16-15-8-4-5-10-23(15)17(22-16)19(25)21-14-9-11-28(26,27)12-14/h1-8,10,14H,9,11-12H2,(H,20,24)(H,21,25).
What are the key properties of 3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.44 g/mol, XLogP of 1.50, 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-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).