[8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride

C15H18ClF3N4O3S — CID 177256670

IUPAC[8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cn2cc(C(=O)N3CCNCC3)nc12.Cl
InChIInChI=1S/C15H17F3N4O3S.ClH/c1-2-26(24,25)12-7-10(15(16,17)18)8-22-9-11(20-13(12)22)14(23)21-5-3-19-4-6-21;/h7-9,19H,2-6H2,1H3;1H
InChIKeyJANHHYGNGXPYNX-UHFFFAOYSA-N
MW426.85 g/mol
LogP1.61
Rot. Bonds3

About [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride

[8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 177256670) has the molecular formula C15H18ClF3N4O3S and a molecular weight of 426.85 g/mol. Its IUPAC name is [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID177256670
Molecular FormulaC15H18ClF3N4O3S
Molecular Weight426.85 g/mol
Exact Mass426.07
IUPAC Name[8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cn2cc(C(=O)N3CCNCC3)nc12.Cl
InChIInChI=1S/C15H17F3N4O3S.ClH/c1-2-26(24,25)12-7-10(15(16,17)18)8-22-9-11(20-13(12)22)14(23)21-5-3-19-4-6-21;/h7-9,19H,2-6H2,1H3;1H
InChIKeyJANHHYGNGXPYNX-UHFFFAOYSA-N
XLogP1.61
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.85
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride (CID 177256670) is [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride is CCS(=O)(=O)c1cc(C(F)(F)F)cn2cc(C(=O)N3CCNCC3)nc12.Cl.
What is the InChIKey of [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is JANHHYGNGXPYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S.ClH/c1-2-26(24,25)12-7-10(15(16,17)18)8-22-9-11(20-13(12)22)14(23)21-5-3-19-4-6-21;/h7-9,19H,2-6H2,1H3;1H.
What are the key properties of [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride?
[8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 426.85 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 177256670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).