1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone

C20H21N5O4S — CID 56521646

IUPAC1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESCS(=O)(=O)c1nc(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)c2ccccn12
InChIInChI=1S/C20H21N5O4S/c1-30(28,29)20-22-18(16-7-3-5-9-25(16)20)19(27)24-12-10-23(11-13-24)17(26)14-15-6-2-4-8-21-15/h2-9H,10-14H2,1H3
InChIKeyGPCGPTWOURAHQQ-UHFFFAOYSA-N
MW427.49 g/mol
LogP0.66
Rot. Bonds4

About 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone

1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 56521646) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
PubChem CID56521646
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESCS(=O)(=O)c1nc(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)c2ccccn12
InChIInChI=1S/C20H21N5O4S/c1-30(28,29)20-22-18(16-7-3-5-9-25(16)20)19(27)24-12-10-23(11-13-24)17(26)14-15-6-2-4-8-21-15/h2-9H,10-14H2,1H3
InChIKeyGPCGPTWOURAHQQ-UHFFFAOYSA-N
XLogP0.66
TPSA104.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone with MolForge

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Related Compounds

1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone
CID 47839617
(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
(2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 51094587
1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone
CID 51134010
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide
CID 47401298
(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110414706
N-(2-aminoethyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119384120
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
[(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 96508516
1-[4-(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56522038

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone (CID 56521646) is 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone is CS(=O)(=O)c1nc(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)c2ccccn12.
What is the InChIKey of 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is GPCGPTWOURAHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-30(28,29)20-22-18(16-7-3-5-9-25(16)20)19(27)24-12-10-23(11-13-24)17(26)14-15-6-2-4-8-21-15/h2-9H,10-14H2,1H3.
What are the key properties of 1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 427.49 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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]-2-pyridin-2-ylethanone is sourced from PubChem (CID 56521646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).