2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline

C19H16F3N5O3S — CID 129100424

IUPAC2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline
SMILESCCS(=O)(=O)c1nc2ccc(OC)cc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H16F3N5O3S/c1-4-31(28,29)18-16(24-12-7-10(30-3)5-6-11(12)26-18)17-25-13-8-15(19(20,21)22)23-9-14(13)27(17)2/h5-9H,4H2,1-3H3
InChIKeyREYSZGWSRWNAKU-UHFFFAOYSA-N
MW451.43 g/mol
LogP3.40
Rot. Bonds4

About 2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline

2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline (PubChem CID 129100424) has the molecular formula C19H16F3N5O3S and a molecular weight of 451.43 g/mol. Its IUPAC name is 2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline.

Molecular Properties

Compound Name2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline
PubChem CID129100424
Molecular FormulaC19H16F3N5O3S
Molecular Weight451.43 g/mol
Exact Mass451.09
IUPAC Name2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline
SMILESCCS(=O)(=O)c1nc2ccc(OC)cc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H16F3N5O3S/c1-4-31(28,29)18-16(24-12-7-10(30-3)5-6-11(12)26-18)17-25-13-8-15(19(20,21)22)23-9-14(13)27(17)2/h5-9H,4H2,1-3H3
InChIKeyREYSZGWSRWNAKU-UHFFFAOYSA-N
XLogP3.40
TPSA99.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline?
The IUPAC name of 2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline (CID 129100424) is 2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline.
What is the SMILES notation for 2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline?
The canonical SMILES for 2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline is CCS(=O)(=O)c1nc2ccc(OC)cc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline?
The InChIKey is REYSZGWSRWNAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3S/c1-4-31(28,29)18-16(24-12-7-10(30-3)5-6-11(12)26-18)17-25-13-8-15(19(20,21)22)23-9-14(13)27(17)2/h5-9H,4H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline?
2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline has a molecular weight of 451.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-6-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoxaline is sourced from PubChem (CID 129100424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).