6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile

C126H134BrF3N18O8S9 — CID 158030299

IUPAC6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile
SMILESCC(C)(C)NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3.CCc1c(C)nc2sc(CC(=O)C(C)(C)C)c(C#N)c2c1C.CCc1c(C)nc2sc(CC(=O)C3CCCC3)c(C#N)c2c1C.CN1CCN(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)CC1.CN1CCc2nc3sc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N)c3c(-c3cccs3)c2C1.Nc1c(C(=O)Nc2ccc(Br)cc2)sc2nc3c(c(-c4ccco4)c12)CCCCC3
InChIInChI=1S/C23H20BrN3O2S.C23H19F3N4O2S2.C22H26N4OS2.C21H25N3OS2.C19H22N2OS.C18H22N2OS/c24-13-8-10-14(11-9-13)26-22(28)21-20(25)19-18(17-7-4-12-29-17)15-5-2-1-3-6-16(15)27-23(19)30-21;1-30-9-8-15-14(11-30)17(16-3-2-10-33-16)18-19(27)20(34-22(18)29-15)21(31)28-12-4-6-13(7-5-12)32-23(24,25)26;1-25-9-11-26(12-10-25)22(27)20-19(23)18-17(16-8-5-13-28-16)14-6-3-2-4-7-15(14)24-21(18)29-20;1-21(2,3)24-19(25)18-17(22)16-15(14-10-7-11-26-14)12-8-5-4-6-9-13(12)23-20(16)27-18;1-4-14-11(2)18-15(10-20)17(23-19(18)21-12(14)3)9-16(22)13-7-5-6-8-13;1-7-12-10(2)16-13(9-19)14(8-15(21)18(4,5)6)22-17(16)20-11(12)3/h4,7-12H,1-3,5-6,25H2,(H,26,28);2-7,10H,8-9,11,27H2,1H3,(H,28,31);5,8,13H,2-4,6-7,9-12,23H2,1H3;7,10-11H,4-6,8-9,22H2,1-3H3,(H,24,25);13H,4-9H2,1-3H3;7-8H2,1-6H3
InChIKeyFHCGHGMFMWCUML-UHFFFAOYSA-N
MW2454.08 g/mol
LogP30.99
Rot. Bonds18

About 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile

6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile (PubChem CID 158030299) has the molecular formula C126H134BrF3N18O8S9 and a molecular weight of 2454.08 g/mol. Its IUPAC name is 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile
PubChem CID158030299
Molecular FormulaC126H134BrF3N18O8S9
Molecular Weight2454.08 g/mol
Exact Mass2450.73
IUPAC Name6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile
SMILESCC(C)(C)NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3.CCc1c(C)nc2sc(CC(=O)C(C)(C)C)c(C#N)c2c1C.CCc1c(C)nc2sc(CC(=O)C3CCCC3)c(C#N)c2c1C.CN1CCN(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)CC1.CN1CCc2nc3sc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N)c3c(-c3cccs3)c2C1.Nc1c(C(=O)Nc2ccc(Br)cc2)sc2nc3c(c(-c4ccco4)c12)CCCCC3
InChIInChI=1S/C23H20BrN3O2S.C23H19F3N4O2S2.C22H26N4OS2.C21H25N3OS2.C19H22N2OS.C18H22N2OS/c24-13-8-10-14(11-9-13)26-22(28)21-20(25)19-18(17-7-4-12-29-17)15-5-2-1-3-6-16(15)27-23(19)30-21;1-30-9-8-15-14(11-30)17(16-3-2-10-33-16)18-19(27)20(34-22(18)29-15)21(31)28-12-4-6-13(7-5-12)32-23(24,25)26;1-25-9-11-26(12-10-25)22(27)20-19(23)18-17(16-8-5-13-28-16)14-6-3-2-4-7-15(14)24-21(18)29-20;1-21(2,3)24-19(25)18-17(22)16-15(14-10-7-11-26-14)12-8-5-4-6-9-13(12)23-20(16)27-18;1-4-14-11(2)18-15(10-20)17(23-19(18)21-12(14)3)9-16(22)13-7-5-6-8-13;1-7-12-10(2)16-13(9-19)14(8-15(21)18(4,5)6)22-17(16)20-11(12)3/h4,7-12H,1-3,5-6,25H2,(H,26,28);2-7,10H,8-9,11,27H2,1H3,(H,28,31);5,8,13H,2-4,6-7,9-12,23H2,1H3;7,10-11H,4-6,8-9,22H2,1-3H3,(H,24,25);13H,4-9H2,1-3H3;7-8H2,1-6H3
InChIKeyFHCGHGMFMWCUML-UHFFFAOYSA-N
XLogP30.99
TPSA399.60 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds18
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002454.08
LogP ≤ 530.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;tert-butyl 3-amino-4,6-dimethyl-5-phenylthieno[2,3-b]pyridine-2-carboxylate;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2-methylpropanamide;5-ethyl-4,6-dimethyl-2-methylsulfonylthieno[2,3-b]pyridine-3-carbonitrile
CID 157291304
2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 157809422
6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)cyclopentanecarboxamide;N-(3-cyano-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-2,2-dimethylpropanamide
CID 160929972

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile (CID 158030299) is 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile is CC(C)(C)NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3.CCc1c(C)nc2sc(CC(=O)C(C)(C)C)c(C#N)c2c1C.CCc1c(C)nc2sc(CC(=O)C3CCCC3)c(C#N)c2c1C.CN1CCN(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)CC1.CN1CCc2nc3sc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N)c3c(-c3cccs3)c2C1.Nc1c(C(=O)Nc2ccc(Br)cc2)sc2nc3c(c(-c4ccco4)c12)CCCCC3.
What is the InChIKey of 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is FHCGHGMFMWCUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O2S.C23H19F3N4O2S2.C22H26N4OS2.C21H25N3OS2.C19H22N2OS.C18H22N2OS/c24-13-8-10-14(11-9-13)26-22(28)21-20(25)19-18(17-7-4-12-29-17)15-5-2-1-3-6-16(15)27-23(19)30-21;1-30-9-8-15-14(11-30)17(16-3-2-10-33-16)18-19(27)20(34-22(18)29-15)21(31)28-12-4-6-13(7-5-12)32-23(24,25)26;1-25-9-11-26(12-10-25)22(27)20-19(23)18-17(16-8-5-13-28-16)14-6-3-2-4-7-15(14)24-21(18)29-20;1-21(2,3)24-19(25)18-17(22)16-15(14-10-7-11-26-14)12-8-5-4-6-9-13(12)23-20(16)27-18;1-4-14-11(2)18-15(10-20)17(23-19(18)21-12(14)3)9-16(22)13-7-5-6-8-13;1-7-12-10(2)16-13(9-19)14(8-15(21)18(4,5)6)22-17(16)20-11(12)3/h4,7-12H,1-3,5-6,25H2,(H,26,28);2-7,10H,8-9,11,27H2,1H3,(H,28,31);5,8,13H,2-4,6-7,9-12,23H2,1H3;7,10-11H,4-6,8-9,22H2,1-3H3,(H,24,25);13H,4-9H2,1-3H3;7-8H2,1-6H3.
What are the key properties of 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile?
6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 2454.08 g/mol, XLogP of 30.99, 18 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-bromophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-N-tert-butyl-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide;3-amino-6-methyl-4-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide;(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;2-(3,3-dimethyl-2-oxobutyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 158030299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).