6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C110H90F18N24O9S9 — CID 157156394

IUPAC6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N1CCc2nc3sc(C(=O)Nc4cccc(C#N)c4)c(N)c3c(C(F)(F)F)c2C1.COc1ccc(CNC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCC4)cc1OC.Cc1csc(NC(=O)CSc2nc3c(c(C(F)(F)F)c2C#N)CCC3)n1.Cc1csc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCC4)n1.Cc1csc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCC4)n1.N#Cc1cccc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCC4)c1
InChIInChI=1S/C21H16F3N5O2S.C21H20F3N3O3S.C19H13F3N4OS.C17H15F3N4OS2.2C16H13F3N4OS2/c1-10(30)29-6-5-14-13(9-29)16(21(22,23)24)15-17(26)18(32-20(15)28-14)19(31)27-12-4-2-3-11(7-12)8-25;1-29-13-7-6-10(8-14(13)30-2)9-26-19(28)18-17(25)15-16(21(22,23)24)11-4-3-5-12(11)27-20(15)31-18;20-19(21,22)14-11-5-2-6-12(11)26-18-13(14)15(24)16(28-18)17(27)25-10-4-1-3-9(7-10)8-23;1-7-6-26-16(22-7)24-14(25)13-12(21)10-11(17(18,19)20)8-4-2-3-5-9(8)23-15(10)27-13;1-6-5-25-15(21-6)23-13(24)12-11(20)9-10(16(17,18)19)7-3-2-4-8(7)22-14(9)26-12;1-8-6-26-15(21-8)23-12(24)7-25-14-10(5-20)13(16(17,18)19)9-3-2-4-11(9)22-14/h2-4,7H,5-6,9,26H2,1H3,(H,27,31);6-8H,3-5,9,25H2,1-2H3,(H,26,28);1,3-4,7H,2,5-6,24H2,(H,25,27);6H,2-5,21H2,1H3,(H,22,24,25);5H,2-4,20H2,1H3,(H,21,23,24);6H,2-4,7H2,1H3,(H,21,23,24)
InChIKeyALVYIRAVLRACGM-UHFFFAOYSA-N
MW2522.66 g/mol
LogP25.92
Rot. Bonds17

About 6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 157156394) has the molecular formula C110H90F18N24O9S9 and a molecular weight of 2522.66 g/mol. Its IUPAC name is 6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID157156394
Molecular FormulaC110H90F18N24O9S9
Molecular Weight2522.66 g/mol
Exact Mass2520.45
IUPAC Name6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N1CCc2nc3sc(C(=O)Nc4cccc(C#N)c4)c(N)c3c(C(F)(F)F)c2C1.COc1ccc(CNC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCC4)cc1OC.Cc1csc(NC(=O)CSc2nc3c(c(C(F)(F)F)c2C#N)CCC3)n1.Cc1csc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCC4)n1.Cc1csc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCC4)n1.N#Cc1cccc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCC4)c1
InChIInChI=1S/C21H16F3N5O2S.C21H20F3N3O3S.C19H13F3N4OS.C17H15F3N4OS2.2C16H13F3N4OS2/c1-10(30)29-6-5-14-13(9-29)16(21(22,23)24)15-17(26)18(32-20(15)28-14)19(31)27-12-4-2-3-11(7-12)8-25;1-29-13-7-6-10(8-14(13)30-2)9-26-19(28)18-17(25)15-16(21(22,23)24)11-4-3-5-12(11)27-20(15)31-18;20-19(21,22)14-11-5-2-6-12(11)26-18-13(14)15(24)16(28-18)17(27)25-10-4-1-3-9(7-10)8-23;1-7-6-26-16(22-7)24-14(25)13-12(21)10-11(17(18,19)20)8-4-2-3-5-9(8)23-15(10)27-13;1-6-5-25-15(21-6)23-13(24)12-11(20)9-10(16(17,18)19)7-3-2-4-8(7)22-14(9)26-12;1-8-6-26-15(21-8)23-12(24)7-25-14-10(5-20)13(16(17,18)19)9-3-2-4-11(9)22-14/h2-4,7H,5-6,9,26H2,1H3,(H,27,31);6-8H,3-5,9,25H2,1-2H3,(H,26,28);1,3-4,7H,2,5-6,24H2,(H,25,27);6H,2-5,21H2,1H3,(H,22,24,25);5H,2-4,20H2,1H3,(H,21,23,24);6H,2-4,7H2,1H3,(H,21,23,24)
InChIKeyALVYIRAVLRACGM-UHFFFAOYSA-N
XLogP25.92
TPSA530.85 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds17
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002522.66
LogP ≤ 525.92
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Analyze 6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

3-[2-[6-acetyl-3-amino-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-2-oxoethyl]benzonitrile;1-[6-amino-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-5-yl]-3-(3,4-dimethoxyphenyl)propan-1-one;1-[6-amino-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-5-yl]-3-(4-methoxyphenyl)propan-1-one;bis(1-[6-amino-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-5-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone);3-[2-[6-amino-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-5-yl]-2-oxoethyl]benzonitrile;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N,N-diethylacetamide;2-[3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl]sulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 160765454
3-[2-[6-acetyl-3-amino-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-2-oxoethyl]benzonitrile;1-[3-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-amino-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-5-yl]-3-(3,4-dimethoxyphenyl)propan-1-one;1-[6-amino-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-5-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;3-[2-[6-amino-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-5-yl]-2-oxoethyl]benzonitrile;2-[3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl]sulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 161064995

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 157156394) is 6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CC(=O)N1CCc2nc3sc(C(=O)Nc4cccc(C#N)c4)c(N)c3c(C(F)(F)F)c2C1.COc1ccc(CNC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCC4)cc1OC.Cc1csc(NC(=O)CSc2nc3c(c(C(F)(F)F)c2C#N)CCC3)n1.Cc1csc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCC4)n1.Cc1csc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCC4)n1.N#Cc1cccc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCC4)c1.
What is the InChIKey of 6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ALVYIRAVLRACGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2S.C21H20F3N3O3S.C19H13F3N4OS.C17H15F3N4OS2.2C16H13F3N4OS2/c1-10(30)29-6-5-14-13(9-29)16(21(22,23)24)15-17(26)18(32-20(15)28-14)19(31)27-12-4-2-3-11(7-12)8-25;1-29-13-7-6-10(8-14(13)30-2)9-26-19(28)18-17(25)15-16(21(22,23)24)11-4-3-5-12(11)27-20(15)31-18;20-19(21,22)14-11-5-2-6-12(11)26-18-13(14)15(24)16(28-18)17(27)25-10-4-1-3-9(7-10)8-23;1-7-6-26-16(22-7)24-14(25)13-12(21)10-11(17(18,19)20)8-4-2-3-5-9(8)23-15(10)27-13;1-6-5-25-15(21-6)23-13(24)12-11(20)9-10(16(17,18)19)7-3-2-4-8(7)22-14(9)26-12;1-8-6-26-15(21-8)23-12(24)7-25-14-10(5-20)13(16(17,18)19)9-3-2-4-11(9)22-14/h2-4,7H,5-6,9,26H2,1H3,(H,27,31);6-8H,3-5,9,25H2,1-2H3,(H,26,28);1,3-4,7H,2,5-6,24H2,(H,25,27);6H,2-5,21H2,1H3,(H,22,24,25);5H,2-4,20H2,1H3,(H,21,23,24);6H,2-4,7H2,1H3,(H,21,23,24).
What are the key properties of 6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 2522.66 g/mol, XLogP of 25.92, 17 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;6-amino-N-(3-cyanophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-[(3,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-(4-methyl-1,3-thiazol-2-yl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 157156394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).