3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline

C40H33ClF6N8S3 — CID 159544082

IUPAC3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
SMILESCCSc1cc2cc(Cl)ccc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCSc1ccc2nc(-c3nc4cc(C(F)(F)F)ncc4n3C)c(SCC)cc2c1
InChIInChI=1S/C21H19F3N4S2.C19H14ClF3N4S/c1-4-29-13-6-7-14-12(8-13)9-17(30-5-2)19(26-14)20-27-15-10-18(21(22,23)24)25-11-16(15)28(20)3;1-3-28-15-7-10-6-11(20)4-5-12(10)25-17(15)18-26-13-8-16(19(21,22)23)24-9-14(13)27(18)2/h6-11H,4-5H2,1-3H3;4-9H,3H2,1-2H3
InChIKeyMEOPOFRBTDQFBV-UHFFFAOYSA-N
MW871.40 g/mol
LogP12.39
Rot. Bonds8

About 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline

3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline (PubChem CID 159544082) has the molecular formula C40H33ClF6N8S3 and a molecular weight of 871.40 g/mol. Its IUPAC name is 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline.

Molecular Properties

Compound Name3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
PubChem CID159544082
Molecular FormulaC40H33ClF6N8S3
Molecular Weight871.40 g/mol
Exact Mass870.16
IUPAC Name3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
SMILESCCSc1cc2cc(Cl)ccc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCSc1ccc2nc(-c3nc4cc(C(F)(F)F)ncc4n3C)c(SCC)cc2c1
InChIInChI=1S/C21H19F3N4S2.C19H14ClF3N4S/c1-4-29-13-6-7-14-12(8-13)9-17(30-5-2)19(26-14)20-27-15-10-18(21(22,23)24)25-11-16(15)28(20)3;1-3-28-15-7-10-6-11(20)4-5-12(10)25-17(15)18-26-13-8-16(19(21,22)23)24-9-14(13)27(18)2/h6-11H,4-5H2,1-3H3;4-9H,3H2,1-2H3
InChIKeyMEOPOFRBTDQFBV-UHFFFAOYSA-N
XLogP12.39
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500871.40
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline with MolForge

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Related Compounds

US11312713, Example 50
CID 142423863
2-[6-(3,5-Dichloro-4-fluorophenyl)-3-ethylsulfanylpyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430886
3-Ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
CID 129099698
3,6-Bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
CID 129100042
6-Chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
CID 129100052
6-Chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
CID 129100108
6-Chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline
CID 129100111
2-(6-Chloro-3-ethylsulfanyl-1-methylindol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 132084271
2-[6-(4-Chlorophenyl)-3-ethylsulfanylpyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 132245846
3,6-Bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;ethane;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]quinoline
CID 145301712
2-(6-Chloro-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3,6-dichloro-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 160411403
6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 160676772

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The IUPAC name of 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline (CID 159544082) is 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline.
What is the SMILES notation for 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The canonical SMILES for 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline is CCSc1cc2cc(Cl)ccc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCSc1ccc2nc(-c3nc4cc(C(F)(F)F)ncc4n3C)c(SCC)cc2c1.
What is the InChIKey of 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The InChIKey is MEOPOFRBTDQFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4S2.C19H14ClF3N4S/c1-4-29-13-6-7-14-12(8-13)9-17(30-5-2)19(26-14)20-27-15-10-18(21(22,23)24)25-11-16(15)28(20)3;1-3-28-15-7-10-6-11(20)4-5-12(10)25-17(15)18-26-13-8-16(19(21,22)23)24-9-14(13)27(18)2/h6-11H,4-5H2,1-3H3;4-9H,3H2,1-2H3.
What are the key properties of 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline has a molecular weight of 871.40 g/mol, XLogP of 12.39, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-chloro-3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline is sourced from PubChem (CID 159544082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).