8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline

C19H15F3N4O2S — CID 135277983

IUPAC8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)ccc2cccnc12
InChIInChI=1S/C19H15F3N4O2S/c1-3-29(27,28)16-13(7-6-11-5-4-8-23-15(11)16)17-25-14-9-12(19(20,21)22)10-24-18(14)26(17)2/h4-10H,3H2,1-2H3
InChIKeyVSWFCSPGDPJXKU-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.00
Rot. Bonds3

About 8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline

8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline (PubChem CID 135277983) has the molecular formula C19H15F3N4O2S and a molecular weight of 420.42 g/mol. Its IUPAC name is 8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline.

Molecular Properties

Compound Name8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline
PubChem CID135277983
Molecular FormulaC19H15F3N4O2S
Molecular Weight420.42 g/mol
Exact Mass420.09
IUPAC Name8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)ccc2cccnc12
InChIInChI=1S/C19H15F3N4O2S/c1-3-29(27,28)16-13(7-6-11-5-4-8-23-15(11)16)17-25-14-9-12(19(20,21)22)10-24-18(14)26(17)2/h4-10H,3H2,1-2H3
InChIKeyVSWFCSPGDPJXKU-UHFFFAOYSA-N
XLogP4.00
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline?
The IUPAC name of 8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline (CID 135277983) is 8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline.
What is the SMILES notation for 8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline?
The canonical SMILES for 8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)ccc2cccnc12.
What is the InChIKey of 8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline?
The InChIKey is VSWFCSPGDPJXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2S/c1-3-29(27,28)16-13(7-6-11-5-4-8-23-15(11)16)17-25-14-9-12(19(20,21)22)10-24-18(14)26(17)2/h4-10H,3H2,1-2H3.
What are the key properties of 8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline?
8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline has a molecular weight of 420.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline is sourced from PubChem (CID 135277983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).