1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone

C15H18N4O4S — CID 47839617

IUPAC1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1
InChIInChI=1S/C15H18N4O4S/c1-11(20)17-7-9-18(10-8-17)14(21)13-12-5-3-4-6-19(12)15(16-13)24(2,22)23/h3-6H,7-10H2,1-2H3
InChIKeyVZNLIJYXPQMXKL-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.04
Rot. Bonds2

About 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone

1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone (PubChem CID 47839617) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone
PubChem CID47839617
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1
InChIInChI=1S/C15H18N4O4S/c1-11(20)17-7-9-18(10-8-17)14(21)13-12-5-3-4-6-19(12)15(16-13)24(2,22)23/h3-6H,7-10H2,1-2H3
InChIKeyVZNLIJYXPQMXKL-UHFFFAOYSA-N
XLogP0.04
TPSA92.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521646
(2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 47803850
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride
CID 120657041
1-[4-[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
CID 109068040
2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 12617475
(2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 51094587
1-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066342
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 119650736
[(2S)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 96508515
[(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 96508516
1-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylimidazo[1,5-a]pyridine-3-carboxamide
CID 109070097
3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide
CID 47401298

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone (CID 47839617) is 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1.
What is the InChIKey of 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is VZNLIJYXPQMXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-11(20)17-7-9-18(10-8-17)14(21)13-12-5-3-4-6-19(12)15(16-13)24(2,22)23/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone?
1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 350.40 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 47839617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).