2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone

C15H20N4O3S — CID 146126092

IUPAC2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone
SMILESC[C@H]1CN(C(=O)Cc2cn3ccccc3n2)CCN1S(C)(=O)=O
InChIInChI=1S/C15H20N4O3S/c1-12-10-18(7-8-19(12)23(2,21)22)15(20)9-13-11-17-6-4-3-5-14(17)16-13/h3-6,11-12H,7-10H2,1-2H3/t12-/m0/s1
InChIKeyJRRFEWSUPJITRR-LBPRGKRZSA-N
MW336.42 g/mol
LogP0.37
Rot. Bonds3

About 2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone

2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone (PubChem CID 146126092) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone
PubChem CID146126092
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone
SMILESC[C@H]1CN(C(=O)Cc2cn3ccccc3n2)CCN1S(C)(=O)=O
InChIInChI=1S/C15H20N4O3S/c1-12-10-18(7-8-19(12)23(2,21)22)15(20)9-13-11-17-6-4-3-5-14(17)16-13/h3-6,11-12H,7-10H2,1-2H3/t12-/m0/s1
InChIKeyJRRFEWSUPJITRR-LBPRGKRZSA-N
XLogP0.37
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(3-hydroxy-4-methylpiperidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 103900447
1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 63106394
1-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146565
2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39299976
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 119644297
2-imidazo[1,2-a]pyridin-2-yl-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313099
1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 70722103
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 71872087
3-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-2-oxoethyl]benzoic acid
CID 120552722
2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone
CID 70860775
2-imidazo[1,2-a]pyridin-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 86924751
1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 95341898

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone (CID 146126092) is 2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone is C[C@H]1CN(C(=O)Cc2cn3ccccc3n2)CCN1S(C)(=O)=O.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone?
The InChIKey is JRRFEWSUPJITRR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-12-10-18(7-8-19(12)23(2,21)22)15(20)9-13-11-17-6-4-3-5-14(17)16-13/h3-6,11-12H,7-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone?
2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone has a molecular weight of 336.42 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 146126092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).