3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C151H172F7N25O6S6 — CID 161314250

IUPAC3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(C#N)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1nc2sc(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)c(N)c2cc1F.Cc1nc2sc(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)c(N)c2cc1F
InChIInChI=1S/C26H29N5OS.2C25H28F2N4OS.3C25H29FN4OS/c1-15(12-29-25(32)24-23(28)21-7-3-16(2)30-26(21)33-24)19-6-8-22(20(10-19)11-27)31-13-17-4-5-18(9-17)14-31;2*1-13(10-29-24(32)23-22(28)18-9-19(26)14(2)30-25(18)33-23)17-5-6-21(20(27)8-17)31-11-15-3-4-16(7-15)12-31;1-14(11-28-24(31)23-22(27)20-7-3-15(2)29-25(20)32-23)19-8-6-18(10-21(19)26)30-12-16-4-5-17(9-16)13-30;2*1-14(11-28-24(31)23-22(27)19-7-3-15(2)29-25(19)32-23)18-6-8-21(20(26)10-18)30-12-16-4-5-17(9-16)13-30/h3,6-8,10,15,17-18H,4-5,9,12-14,28H2,1-2H3,(H,29,32);2*5-6,8-9,13,15-16H,3-4,7,10-12,28H2,1-2H3,(H,29,32);3*3,6-8,10,14,16-17H,4-5,9,11-13,27H2,1-2H3,(H,28,31)/t15-,17?,18?;2*13-,15?,16?;3*14-,16?,17?/m110010/s1
InChIKeyVJHDBGYQVQKBTK-GLZPVIBESA-N
MW2758.59 g/mol
LogP30.59
Rot. Bonds30

About 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 161314250) has the molecular formula C151H172F7N25O6S6 and a molecular weight of 2758.59 g/mol. Its IUPAC name is 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID161314250
Molecular FormulaC151H172F7N25O6S6
Molecular Weight2758.59 g/mol
Exact Mass2756.21
IUPAC Name3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(C#N)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1nc2sc(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)c(N)c2cc1F.Cc1nc2sc(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)c(N)c2cc1F
InChIInChI=1S/C26H29N5OS.2C25H28F2N4OS.3C25H29FN4OS/c1-15(12-29-25(32)24-23(28)21-7-3-16(2)30-26(21)33-24)19-6-8-22(20(10-19)11-27)31-13-17-4-5-18(9-17)14-31;2*1-13(10-29-24(32)23-22(28)18-9-19(26)14(2)30-25(18)33-23)17-5-6-21(20(27)8-17)31-11-15-3-4-16(7-15)12-31;1-14(11-28-24(31)23-22(27)20-7-3-15(2)29-25(20)32-23)19-8-6-18(10-21(19)26)30-12-16-4-5-17(9-16)13-30;2*1-14(11-28-24(31)23-22(27)19-7-3-15(2)29-25(19)32-23)18-6-8-21(20(26)10-18)30-12-16-4-5-17(9-16)13-30/h3,6-8,10,15,17-18H,4-5,9,12-14,28H2,1-2H3,(H,29,32);2*5-6,8-9,13,15-16H,3-4,7,10-12,28H2,1-2H3,(H,29,32);3*3,6-8,10,14,16-17H,4-5,9,11-13,27H2,1-2H3,(H,28,31)/t15-,17?,18?;2*13-,15?,16?;3*14-,16?,17?/m110010/s1
InChIKeyVJHDBGYQVQKBTK-GLZPVIBESA-N
XLogP30.59
TPSA451.29 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds30
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002758.59
LogP ≤ 530.59
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 157187550
3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 158755500
N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 157416027
3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 158755499
3-amino-N-[(2R)-2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 153311061
7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 158460930
7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 162182033
3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 158755502
N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 158422389
3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide
CID 159461799
3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(2R)-2-(4-piperidin-1-ylphenyl)propyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 160559977
3-amino-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167701860

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 161314250) is 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(C#N)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1nc2sc(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)c(N)c2cc1F.Cc1nc2sc(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)c(N)c2cc1F.
What is the InChIKey of 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VJHDBGYQVQKBTK-GLZPVIBESA-N. The full InChI is InChI=1S/C26H29N5OS.2C25H28F2N4OS.3C25H29FN4OS/c1-15(12-29-25(32)24-23(28)21-7-3-16(2)30-26(21)33-24)19-6-8-22(20(10-19)11-27)31-13-17-4-5-18(9-17)14-31;2*1-13(10-29-24(32)23-22(28)18-9-19(26)14(2)30-25(18)33-23)17-5-6-21(20(27)8-17)31-11-15-3-4-16(7-15)12-31;1-14(11-28-24(31)23-22(27)20-7-3-15(2)29-25(20)32-23)19-8-6-18(10-21(19)26)30-12-16-4-5-17(9-16)13-30;2*1-14(11-28-24(31)23-22(27)19-7-3-15(2)29-25(19)32-23)18-6-8-21(20(26)10-18)30-12-16-4-5-17(9-16)13-30/h3,6-8,10,15,17-18H,4-5,9,12-14,28H2,1-2H3,(H,29,32);2*5-6,8-9,13,15-16H,3-4,7,10-12,28H2,1-2H3,(H,29,32);3*3,6-8,10,14,16-17H,4-5,9,11-13,27H2,1-2H3,(H,28,31)/t15-,17?,18?;2*13-,15?,16?;3*14-,16?,17?/m110010/s1.
What are the key properties of 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2758.59 g/mol, XLogP of 30.59, 30 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 161314250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).