2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C19H16F3N5O2S — CID 129028381

IUPAC2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESC=Cc1ccn2c(S(=O)(=O)CC)c(-c3nc4cc(C(F)(F)F)cnc4n3C)nc2c1
InChIInChI=1S/C19H16F3N5O2S/c1-4-11-6-7-27-14(8-11)25-15(18(27)30(28,29)5-2)17-24-13-9-12(19(20,21)22)10-23-16(13)26(17)3/h4,6-10H,1,5H2,2-3H3
InChIKeyQXVGLWUJRLPSIF-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.74
Rot. Bonds4

About 2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 129028381) has the molecular formula C19H16F3N5O2S and a molecular weight of 435.43 g/mol. Its IUPAC name is 2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID129028381
Molecular FormulaC19H16F3N5O2S
Molecular Weight435.43 g/mol
Exact Mass435.10
IUPAC Name2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESC=Cc1ccn2c(S(=O)(=O)CC)c(-c3nc4cc(C(F)(F)F)cnc4n3C)nc2c1
InChIInChI=1S/C19H16F3N5O2S/c1-4-11-6-7-27-14(8-11)25-15(18(27)30(28,29)5-2)17-24-13-9-12(19(20,21)22)10-23-16(13)26(17)3/h4,6-10H,1,5H2,2-3H3
InChIKeyQXVGLWUJRLPSIF-UHFFFAOYSA-N
XLogP3.74
TPSA82.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 129028381) is 2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is C=Cc1ccn2c(S(=O)(=O)CC)c(-c3nc4cc(C(F)(F)F)cnc4n3C)nc2c1.
What is the InChIKey of 2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is QXVGLWUJRLPSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2S/c1-4-11-6-7-27-14(8-11)25-15(18(27)30(28,29)5-2)17-24-13-9-12(19(20,21)22)10-23-16(13)26(17)3/h4,6-10H,1,5H2,2-3H3.
What are the key properties of 2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 435.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 129028381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).