[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

C18H16ClF3N4O4S — CID 46864548

IUPAC[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1
InChIInChI=1S/C18H16ClF3N4O4S/c1-31(28,29)25-5-3-24(4-6-25)17(27)14-15(19)26-9-12(11-2-7-30-10-11)8-13(16(26)23-14)18(20,21)22/h2,7-10H,3-6H2,1H3
InChIKeyLMHYZIZNXFYGKN-UHFFFAOYSA-N
MW476.86 g/mol
LogP2.98
Rot. Bonds3

About [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 46864548) has the molecular formula C18H16ClF3N4O4S and a molecular weight of 476.86 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID46864548
Molecular FormulaC18H16ClF3N4O4S
Molecular Weight476.86 g/mol
Exact Mass476.05
IUPAC Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1
InChIInChI=1S/C18H16ClF3N4O4S/c1-31(28,29)25-5-3-24(4-6-25)17(27)14-15(19)26-9-12(11-2-7-30-10-11)8-13(16(26)23-14)18(20,21)22/h2,7-10H,3-6H2,1H3
InChIKeyLMHYZIZNXFYGKN-UHFFFAOYSA-N
XLogP2.98
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.86
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone (CID 46864548) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is LMHYZIZNXFYGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N4O4S/c1-31(28,29)25-5-3-24(4-6-25)17(27)14-15(19)26-9-12(11-2-7-30-10-11)8-13(16(26)23-14)18(20,21)22/h2,7-10H,3-6H2,1H3.
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 476.86 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 46864548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).