3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C136H145F3N24O5S5 — CID 158015841

IUPAC3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccc(F)cc4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4cccc(F)c4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccccc4F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4cncnc4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4cnn(C)c4)c3)sc2n1
InChIInChI=1S/3C28H29FN4OS.C26H30N6OS.C26H28N6OS/c1-18-9-11-21-25(30)26(35-28(21)32-18)27(34)31-14-13-19-10-12-24(33-15-5-2-6-16-33)22(17-19)20-7-3-4-8-23(20)29;1-18-5-11-22-25(30)26(35-28(22)32-18)27(34)31-14-13-19-6-12-24(33-15-3-2-4-16-33)23(17-19)20-7-9-21(29)10-8-20;1-18-8-10-22-25(30)26(35-28(22)32-18)27(34)31-13-12-19-9-11-24(33-14-3-2-4-15-33)23(16-19)20-6-5-7-21(29)17-20;1-17-6-8-20-23(27)24(34-26(20)30-17)25(33)28-11-10-18-7-9-22(32-12-4-3-5-13-32)21(14-18)19-15-29-31(2)16-19;1-17-5-7-20-23(27)24(34-26(20)31-17)25(33)30-10-9-18-6-8-22(32-11-3-2-4-12-32)21(13-18)19-14-28-16-29-15-19/h3-4,7-12,17H,2,5-6,13-16,30H2,1H3,(H,31,34);5-12,17H,2-4,13-16,30H2,1H3,(H,31,34);5-11,16-17H,2-4,12-15,30H2,1H3,(H,31,34);6-9,14-16H,3-5,10-13,27H2,1-2H3,(H,28,33);5-8,13-16H,2-4,9-12,27H2,1H3,(H,30,33)
InChIKeyFFLHHDKSXOXQAG-UHFFFAOYSA-N
MW2413.15 g/mol
LogP27.02
Rot. Bonds30

About 3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 158015841) has the molecular formula C136H145F3N24O5S5 and a molecular weight of 2413.15 g/mol. Its IUPAC name is 3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID158015841
Molecular FormulaC136H145F3N24O5S5
Molecular Weight2413.15 g/mol
Exact Mass2411.04
IUPAC Name3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccc(F)cc4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4cccc(F)c4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccccc4F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4cncnc4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4cnn(C)c4)c3)sc2n1
InChIInChI=1S/3C28H29FN4OS.C26H30N6OS.C26H28N6OS/c1-18-9-11-21-25(30)26(35-28(21)32-18)27(34)31-14-13-19-10-12-24(33-15-5-2-6-16-33)22(17-19)20-7-3-4-8-23(20)29;1-18-5-11-22-25(30)26(35-28(22)32-18)27(34)31-14-13-19-6-12-24(33-15-3-2-4-16-33)23(17-19)20-7-9-21(29)10-8-20;1-18-8-10-22-25(30)26(35-28(22)32-18)27(34)31-13-12-19-9-11-24(33-14-3-2-4-15-33)23(16-19)20-6-5-7-21(29)17-20;1-17-6-8-20-23(27)24(34-26(20)30-17)25(33)28-11-10-18-7-9-22(32-12-4-3-5-13-32)21(14-18)19-15-29-31(2)16-19;1-17-5-7-20-23(27)24(34-26(20)31-17)25(33)30-10-9-18-6-8-22(32-11-3-2-4-12-32)21(13-18)19-14-28-16-29-15-19/h3-4,7-12,17H,2,5-6,13-16,30H2,1H3,(H,31,34);5-12,17H,2-4,13-16,30H2,1H3,(H,31,34);5-11,16-17H,2-4,12-15,30H2,1H3,(H,31,34);6-9,14-16H,3-5,10-13,27H2,1-2H3,(H,28,33);5-8,13-16H,2-4,9-12,27H2,1H3,(H,30,33)
InChIKeyFFLHHDKSXOXQAG-UHFFFAOYSA-N
XLogP27.02
TPSA399.85 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds30
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002413.15
LogP ≤ 527.02
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide
CID 15942542
2-methyl-N-[(1S)-1-[8-[2-(4-methyl-1,3-thiazol-2-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-[2-(1,3-thiazol-2-yl)ethynyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(3,3,3-trifluoroprop-1-ynyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158690961
N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(6-fluoro-3-pyridinyl)indazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-3-ylindazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-4-ylindazole-4-carboxamide;1-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 158867825
bis(3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide);3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide
CID 160412295
5-[[5-(4-aminoquinolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 161997724
2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 162070667
5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 162258056
[4-[4-[[2-Tert-butyl-7-[6-[2-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylamino)quinolin-1-ium-1-yl]-1,3-benzothiazol-5-yl]amino]quinolin-6-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone
CID 176955230
5-amino-3,4-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 157075396
8-butyl-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-methyl-3-[(1S)-1-[(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]isoquinolin-1-one;8-(2-methoxy-1,3-thiazol-5-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-phenyl-8-pyridin-2-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one
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(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
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6-acetamido-3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(dimethylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(3-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 157395285

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 158015841) is 3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccc(F)cc4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4cccc(F)c4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccccc4F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4cncnc4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4cnn(C)c4)c3)sc2n1.
What is the InChIKey of 3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FFLHHDKSXOXQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C28H29FN4OS.C26H30N6OS.C26H28N6OS/c1-18-9-11-21-25(30)26(35-28(21)32-18)27(34)31-14-13-19-10-12-24(33-15-5-2-6-16-33)22(17-19)20-7-3-4-8-23(20)29;1-18-5-11-22-25(30)26(35-28(22)32-18)27(34)31-14-13-19-6-12-24(33-15-3-2-4-16-33)23(17-19)20-7-9-21(29)10-8-20;1-18-8-10-22-25(30)26(35-28(22)32-18)27(34)31-13-12-19-9-11-24(33-14-3-2-4-15-33)23(16-19)20-6-5-7-21(29)17-20;1-17-6-8-20-23(27)24(34-26(20)30-17)25(33)28-11-10-18-7-9-22(32-12-4-3-5-13-32)21(14-18)19-15-29-31(2)16-19;1-17-5-7-20-23(27)24(34-26(20)31-17)25(33)30-10-9-18-6-8-22(32-11-3-2-4-12-32)21(13-18)19-14-28-16-29-15-19/h3-4,7-12,17H,2,5-6,13-16,30H2,1H3,(H,31,34);5-12,17H,2-4,13-16,30H2,1H3,(H,31,34);5-11,16-17H,2-4,12-15,30H2,1H3,(H,31,34);6-9,14-16H,3-5,10-13,27H2,1-2H3,(H,28,33);5-8,13-16H,2-4,9-12,27H2,1H3,(H,30,33).
What are the key properties of 3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2413.15 g/mol, XLogP of 27.02, 30 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[3-(2-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(4-fluorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyrimidin-5-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 158015841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).