N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide

C129H129F21N36O26S14 — CID 159942200

IUPACN-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide
SMILESCCS(=O)(=O)c1cc(C(=O)N=S(C)(=O)CC)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCS(=O)(=O)c1cc(C(=O)N=S(C)(=O)CC)cnc1-c1nc2cc(C(F)(F)F)nnc2n1C.CCS(=O)(=O)c1cc(C(=O)N=S(C)(C)=O)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C.CCS(=O)(=O)c1cc(C(=O)N=S(C)C)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(=O)N=S2(=O)CCC2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(=O)N=S2(=O)CCC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCS(CC)=NC(=O)c1cnc(-c2nc3cc(C(F)(F)F)ncc3n2C)c(S(=O)(=O)CC)c1
InChIInChI=1S/C20H22F3N5O3S2.C19H18F3N5O4S2.C19H20F3N5O4S2.C18H19F3N6O4S2.C18H16F3N5O4S2.C18H18F3N5O4S2.C17H16F3N5O3S2/c1-5-32(6-2)27-19(29)12-8-15(33(30,31)7-3)17(25-10-12)18-26-13-9-16(20(21,22)23)24-11-14(13)28(18)4;1-3-33(30,31)14-7-11(18(28)26-32(29)5-4-6-32)9-24-16(14)17-25-12-8-15(19(20,21)22)23-10-13(12)27(17)2;1-5-32(4,29)26-18(28)11-7-14(33(30,31)6-2)16(24-9-11)17-25-12-8-15(19(20,21)22)23-10-13(12)27(17)3;1-5-32(4,29)26-17(28)10-7-12(33(30,31)6-2)14(22-9-10)16-23-11-8-13(18(19,20)21)24-25-15(11)27(16)3;1-2-32(29,30)13-6-11(17(27)25-31(28)4-3-5-31)8-22-16(13)12-9-26-10-23-14(18(19,20)21)7-15(26)24-12;1-5-32(29,30)13-6-10(17(27)25-31(3,4)28)8-22-14(13)16-24-12-7-11(18(19,20)21)9-23-15(12)26(16)2;1-4-30(27,28)12-5-10(16(26)24-29(2)3)7-21-15(12)11-8-25-9-22-13(17(18,19)20)6-14(25)23-11/h8-11H,5-7H2,1-4H3;7-10H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;6-10H,2-5H2,1H3;6-9H,5H2,1-4H3;5-9H,4H2,1-3H3
InChIKeyOBAGJQWGRJNHGL-UHFFFAOYSA-N
MW3447.57 g/mol
LogP20.41
Rot. Bonds32

About N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide

N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide (PubChem CID 159942200) has the molecular formula C129H129F21N36O26S14 and a molecular weight of 3447.57 g/mol. Its IUPAC name is N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide
PubChem CID159942200
Molecular FormulaC129H129F21N36O26S14
Molecular Weight3447.57 g/mol
Exact Mass3444.56
IUPAC NameN-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide
SMILESCCS(=O)(=O)c1cc(C(=O)N=S(C)(=O)CC)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCS(=O)(=O)c1cc(C(=O)N=S(C)(=O)CC)cnc1-c1nc2cc(C(F)(F)F)nnc2n1C.CCS(=O)(=O)c1cc(C(=O)N=S(C)(C)=O)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C.CCS(=O)(=O)c1cc(C(=O)N=S(C)C)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(=O)N=S2(=O)CCC2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(=O)N=S2(=O)CCC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCS(CC)=NC(=O)c1cnc(-c2nc3cc(C(F)(F)F)ncc3n2C)c(S(=O)(=O)CC)c1
InChIInChI=1S/C20H22F3N5O3S2.C19H18F3N5O4S2.C19H20F3N5O4S2.C18H19F3N6O4S2.C18H16F3N5O4S2.C18H18F3N5O4S2.C17H16F3N5O3S2/c1-5-32(6-2)27-19(29)12-8-15(33(30,31)7-3)17(25-10-12)18-26-13-9-16(20(21,22)23)24-11-14(13)28(18)4;1-3-33(30,31)14-7-11(18(28)26-32(29)5-4-6-32)9-24-16(14)17-25-12-8-15(19(20,21)22)23-10-13(12)27(17)2;1-5-32(4,29)26-18(28)11-7-14(33(30,31)6-2)16(24-9-11)17-25-12-8-15(19(20,21)22)23-10-13(12)27(17)3;1-5-32(4,29)26-17(28)10-7-12(33(30,31)6-2)14(22-9-10)16-23-11-8-13(18(19,20)21)24-25-15(11)27(16)3;1-2-32(29,30)13-6-11(17(27)25-31(28)4-3-5-31)8-22-16(13)12-9-26-10-23-14(18(19,20)21)7-15(26)24-12;1-5-32(29,30)13-6-10(17(27)25-31(3,4)28)8-22-14(13)16-24-12-7-11(18(19,20)21)9-23-15(12)26(16)2;1-4-30(27,28)12-5-10(16(26)24-29(2)3)7-21-15(12)11-8-25-9-22-13(17(18,19)20)6-14(25)23-11/h8-11H,5-7H2,1-4H3;7-10H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;6-10H,2-5H2,1H3;6-9H,5H2,1-4H3;5-9H,4H2,1-3H3
InChIKeyOBAGJQWGRJNHGL-UHFFFAOYSA-N
XLogP20.41
TPSA847.39 Ų
H-Bond Donors
H-Bond Acceptors55
Rotatable Bonds32
Heavy Atoms226
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003447.57
LogP ≤ 520.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1055

Analyze N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide (CID 159942200) is N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide is CCS(=O)(=O)c1cc(C(=O)N=S(C)(=O)CC)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCS(=O)(=O)c1cc(C(=O)N=S(C)(=O)CC)cnc1-c1nc2cc(C(F)(F)F)nnc2n1C.CCS(=O)(=O)c1cc(C(=O)N=S(C)(C)=O)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C.CCS(=O)(=O)c1cc(C(=O)N=S(C)C)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(=O)N=S2(=O)CCC2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(=O)N=S2(=O)CCC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCS(CC)=NC(=O)c1cnc(-c2nc3cc(C(F)(F)F)ncc3n2C)c(S(=O)(=O)CC)c1.
What is the InChIKey of N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide?
The InChIKey is OBAGJQWGRJNHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O3S2.C19H18F3N5O4S2.C19H20F3N5O4S2.C18H19F3N6O4S2.C18H16F3N5O4S2.C18H18F3N5O4S2.C17H16F3N5O3S2/c1-5-32(6-2)27-19(29)12-8-15(33(30,31)7-3)17(25-10-12)18-26-13-9-16(20(21,22)23)24-11-14(13)28(18)4;1-3-33(30,31)14-7-11(18(28)26-32(29)5-4-6-32)9-24-16(14)17-25-12-8-15(19(20,21)22)23-10-13(12)27(17)2;1-5-32(4,29)26-18(28)11-7-14(33(30,31)6-2)16(24-9-11)17-25-12-8-15(19(20,21)22)23-10-13(12)27(17)3;1-5-32(4,29)26-17(28)10-7-12(33(30,31)6-2)14(22-9-10)16-23-11-8-13(18(19,20)21)24-25-15(11)27(16)3;1-2-32(29,30)13-6-11(17(27)25-31(28)4-3-5-31)8-22-16(13)12-9-26-10-23-14(18(19,20)21)7-15(26)24-12;1-5-32(29,30)13-6-10(17(27)25-31(3,4)28)8-22-14(13)16-24-12-7-11(18(19,20)21)9-23-15(12)26(16)2;1-4-30(27,28)12-5-10(16(26)24-29(2)3)7-21-15(12)11-8-25-9-22-13(17(18,19)20)6-14(25)23-11/h8-11H,5-7H2,1-4H3;7-10H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;6-10H,2-5H2,1H3;6-9H,5H2,1-4H3;5-9H,4H2,1-3H3.
What are the key properties of N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide?
N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide has a molecular weight of 3447.57 g/mol, XLogP of 20.41, 32 rotatable bonds, 0 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;N-(dimethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide;5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-N-(1-oxothietan-1-ylidene)pyridine-3-carboxamide;5-ethylsulfonyl-N-(1-oxothietan-1-ylidene)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 159942200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).