[(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone

C21H23N3O3S — CID 96508516

IUPAC[(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
SMILESCc1ccc([C@H]2CCCCN2C(=O)c2nc(S(C)(=O)=O)n3ccccc23)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-9-11-16(12-10-15)17-7-3-5-13-23(17)20(25)19-18-8-4-6-14-24(18)21(22-19)28(2,26)27/h4,6,8-12,14,17H,3,5,7,13H2,1-2H3/t17-/m1/s1
InChIKeyDMSJCEXYWYDYEY-QGZVFWFLSA-N
MW397.50 g/mol
LogP3.41
Rot. Bonds3

About [(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone

[(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone (PubChem CID 96508516) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is [(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
PubChem CID96508516
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name[(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
SMILESCc1ccc([C@H]2CCCCN2C(=O)c2nc(S(C)(=O)=O)n3ccccc23)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-9-11-16(12-10-15)17-7-3-5-13-23(17)20(25)19-18-8-4-6-14-24(18)21(22-19)28(2,26)27/h4,6,8-12,14,17H,3,5,7,13H2,1-2H3/t17-/m1/s1
InChIKeyDMSJCEXYWYDYEY-QGZVFWFLSA-N
XLogP3.41
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 96508515
[2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 60587382
(2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 51094587
[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
(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732467
(2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 47803850
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 154569313
[(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-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The IUPAC name of [(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone (CID 96508516) is [(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone.
What is the SMILES notation for [(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The canonical SMILES for [(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone is Cc1ccc([C@H]2CCCCN2C(=O)c2nc(S(C)(=O)=O)n3ccccc23)cc1.
What is the InChIKey of [(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The InChIKey is DMSJCEXYWYDYEY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-9-11-16(12-10-15)17-7-3-5-13-23(17)20(25)19-18-8-4-6-14-24(18)21(22-19)28(2,26)27/h4,6,8-12,14,17H,3,5,7,13H2,1-2H3/t17-/m1/s1.
What are the key properties of [(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
[(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone has a molecular weight of 397.50 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone is sourced from PubChem (CID 96508516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).