7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine

C34H29ClF6N4O4S2 — CID 158262773

IUPAC7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine
SMILESCCS(=O)(=O)c1cc(C)cnc1C1=C(Cl)c2ncc(C(F)(F)F)cc2C1.CCS(=O)(=O)c1cc(C)cnc1C1=Cc2ncc(C(F)(F)F)cc2C1
InChIInChI=1S/C17H14ClF3N2O2S.C17H15F3N2O2S/c1-3-26(24,25)13-4-9(2)7-22-16(13)12-6-10-5-11(17(19,20)21)8-23-15(10)14(12)18;1-3-25(23,24)15-4-10(2)8-22-16(15)12-5-11-6-13(17(18,19)20)9-21-14(11)7-12/h4-5,7-8H,3,6H2,1-2H3;4,6-9H,3,5H2,1-2H3
InChIKeyGIBPUSQPKCTWME-UHFFFAOYSA-N
MW771.21 g/mol
LogP7.95
Rot. Bonds6

About 7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine

7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine (PubChem CID 158262773) has the molecular formula C34H29ClF6N4O4S2 and a molecular weight of 771.21 g/mol. Its IUPAC name is 7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine
PubChem CID158262773
Molecular FormulaC34H29ClF6N4O4S2
Molecular Weight771.21 g/mol
Exact Mass770.12
IUPAC Name7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine
SMILESCCS(=O)(=O)c1cc(C)cnc1C1=C(Cl)c2ncc(C(F)(F)F)cc2C1.CCS(=O)(=O)c1cc(C)cnc1C1=Cc2ncc(C(F)(F)F)cc2C1
InChIInChI=1S/C17H14ClF3N2O2S.C17H15F3N2O2S/c1-3-26(24,25)13-4-9(2)7-22-16(13)12-6-10-5-11(17(19,20)21)8-23-15(10)14(12)18;1-3-25(23,24)15-4-10(2)8-22-16(15)12-5-11-6-13(17(18,19)20)9-21-14(11)7-12/h4-5,7-8H,3,6H2,1-2H3;4,6-9H,3,5H2,1-2H3
InChIKeyGIBPUSQPKCTWME-UHFFFAOYSA-N
XLogP7.95
TPSA119.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.21
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine with MolForge

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Related Compounds

7-bromo-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine
CID 157487126
2-[3-ethylsulfonyl-5-(3-methylphenyl)-2-pyridinyl]-3,3-difluoro-6-(trifluoromethyl)pyrrolo[3,2-b]pyridine;6-[3-ethylsulfonyl-5-(3-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine
CID 157770317
6-(3-ethylsulfanyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;2-(3-ethylsulfinyl-5-methyl-2-pyridinyl)-3,3-difluoro-6-(trifluoromethyl)pyrrolo[3,2-b]pyridine;2-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3,3-difluoro-6-(trifluoromethyl)pyrrolo[3,2-b]pyridine
CID 158055935
6-chloro-2-[7-chloro-3-(trifluoromethyl)-5H-cyclopenta[b]pyridin-6-yl]-3-ethylsulfonylquinoline;6-chloro-3-ethylsulfonyl-2-[7-fluoro-3-(trifluoromethyl)-5H-cyclopenta[b]pyridin-6-yl]quinoline
CID 158357230
6-(3-ethylsulfanyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine
CID 158545329
6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine
CID 158871585
6-(3-ethylsulfanyl-5-iodo-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine
CID 159155649
3-Ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 159178904
6-(3-ethylsulfanyl-5-iodo-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-iodo-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine
CID 159273876
[(1S)-1-(6-chloro-3-pyridinyl)ethyl]-methyl-methylimino-oxo-lambda6-sulfane;bis(1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethyl-methyl-methylimino-oxo-lambda6-sulfane);tris(methyl-methylimino-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-lambda6-sulfane)
CID 159707811
2-(1,1-Difluoro-3-methylbutyl)-1-oxidopyridin-1-ium;2-(1,1-difluoro-3-methylbutyl)pyridine;methane;2-(3-methylbutyl)pyridine;propan-2-ylsulfonylmethylbenzene;4-(propan-2-ylsulfonylmethyl)pyridine
CID 160438549
6-(3-ethylsulfanyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine
CID 160731056

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine?
The IUPAC name of 7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine (CID 158262773) is 7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine?
The canonical SMILES for 7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine is CCS(=O)(=O)c1cc(C)cnc1C1=C(Cl)c2ncc(C(F)(F)F)cc2C1.CCS(=O)(=O)c1cc(C)cnc1C1=Cc2ncc(C(F)(F)F)cc2C1.
What is the InChIKey of 7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine?
The InChIKey is GIBPUSQPKCTWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2S.C17H15F3N2O2S/c1-3-26(24,25)13-4-9(2)7-22-16(13)12-6-10-5-11(17(19,20)21)8-23-15(10)14(12)18;1-3-25(23,24)15-4-10(2)8-22-16(15)12-5-11-6-13(17(18,19)20)9-21-14(11)7-12/h4-5,7-8H,3,6H2,1-2H3;4,6-9H,3,5H2,1-2H3.
What are the key properties of 7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine?
7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine has a molecular weight of 771.21 g/mol, XLogP of 7.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine;6-(3-ethylsulfonyl-5-methyl-2-pyridinyl)-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 158262773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).