(2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone

C16H21N3O3S — CID 51094587

IUPAC(2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C16H21N3O3S/c1-3-12-8-4-6-10-18(12)15(20)14-13-9-5-7-11-19(13)16(17-14)23(2,21)22/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3
InChIKeyJTFPMRLYJBHAAO-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.14
Rot. Bonds3

About (2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone

(2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone (PubChem CID 51094587) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
PubChem CID51094587
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name(2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C16H21N3O3S/c1-3-12-8-4-6-10-18(12)15(20)14-13-9-5-7-11-19(13)16(17-14)23(2,21)22/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3
InChIKeyJTFPMRLYJBHAAO-UHFFFAOYSA-N
XLogP2.14
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 119650736
tert-butyl N-[[(2R)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate
CID 52832198
tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate
CID 52832197
(2-ethylpiperidin-1-yl)-[3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 109068501
[(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
azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 109071586
1-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066389
[2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 60587382
[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 109071584
N-cyclopentyl-3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068202
N-cyclohexyl-3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068588

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone (CID 51094587) is (2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone is CCC1CCCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The InChIKey is JTFPMRLYJBHAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-12-8-4-6-10-18(12)15(20)14-13-9-5-7-11-19(13)16(17-14)23(2,21)22/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
(2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone has a molecular weight of 335.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone is sourced from PubChem (CID 51094587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).