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

C18H19N5O3S — CID 120732467

IUPAC(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)c1nc(C(=O)N2CCNCC2c2cccnc2)c2ccccn12
InChIInChI=1S/C18H19N5O3S/c1-27(25,26)18-21-16(14-6-2-3-9-23(14)18)17(24)22-10-8-20-12-15(22)13-5-4-7-19-11-13/h2-7,9,11,15,20H,8,10,12H2,1H3
InChIKeyVCEJDPJFMIJIQC-UHFFFAOYSA-N
MW385.45 g/mol
LogP0.92
Rot. Bonds3

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

(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120732467) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is (3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120732467
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)c1nc(C(=O)N2CCNCC2c2cccnc2)c2ccccn12
InChIInChI=1S/C18H19N5O3S/c1-27(25,26)18-21-16(14-6-2-3-9-23(14)18)17(24)22-10-8-20-12-15(22)13-5-4-7-19-11-13/h2-7,9,11,15,20H,8,10,12H2,1H3
InChIKeyVCEJDPJFMIJIQC-UHFFFAOYSA-N
XLogP0.92
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694
(5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730947
(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732345
(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732429
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(5-chloropyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729438
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731955
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
CID 120729469
N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120732089
1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride
CID 120731988

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120732467) is (3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is CS(=O)(=O)c1nc(C(=O)N2CCNCC2c2cccnc2)c2ccccn12.
What is the InChIKey of (3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is VCEJDPJFMIJIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-27(25,26)18-21-16(14-6-2-3-9-23(14)18)17(24)22-10-8-20-12-15(22)13-5-4-7-19-11-13/h2-7,9,11,15,20H,8,10,12H2,1H3.
What are the key properties of (3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 385.45 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120732467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).