7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C165H185F9N36O7S7 — CID 158636247

IUPAC7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NCCc3c(F)cc(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)c(C#N)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1
InChIInChI=1S/C24H27F2N5OS.2C24H28FN5OS.C24H26N6OS.2C23H25F2N5OS.C23H26FN5OS/c1-12(8-29-23(32)22-20(27)21-24(33-22)30-13(2)9-28-21)16-6-18(26)19(7-17(16)25)31-10-14-3-4-15(5-14)11-31;2*1-13(9-28-23(31)22-20(26)21-24(32-22)29-14(2)10-27-21)17-5-6-19(18(25)8-17)30-11-15-3-4-16(7-15)12-30;1-14-11-28-21-20(26)22(32-24(21)29-14)23(31)27-7-6-15-4-5-19(18(9-15)10-25)30-12-16-2-3-17(8-16)13-30;1-12-9-28-20-19(26)21(32-23(20)29-12)22(31)27-5-4-16-17(24)7-15(8-18(16)25)30-10-13-2-3-14(6-13)11-30;1-12-9-28-20-19(26)21(32-23(20)29-12)22(31)27-5-4-15-7-17(25)18(8-16(15)24)30-10-13-2-3-14(6-13)11-30;1-13-10-27-20-19(25)21(31-23(20)28-13)22(30)26-7-6-16-4-5-17(9-18(16)24)29-11-14-2-3-15(8-14)12-29/h6-7,9,12,14-15H,3-5,8,10-11,27H2,1-2H3,(H,29,32);2*5-6,8,10,13,15-16H,3-4,7,9,11-12,26H2,1-2H3,(H,28,31);4-5,9,11,16-17H,2-3,6-8,12-13,26H2,1H3,(H,27,31);2*7-9,13-14H,2-6,10-11,26H2,1H3,(H,27,31);4-5,9-10,14-15H,2-3,6-8,11-12,25H2,1H3,(H,26,30)/t12-,14?,15?;2*13-,15?,16?;;;;/m110..../s1
InChIKeyHZUQKYUHMPNRMT-UUKFSYJISA-N
MW3179.99 g/mol
LogP29.34
Rot. Bonds35

About 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 158636247) has the molecular formula C165H185F9N36O7S7 and a molecular weight of 3179.99 g/mol. Its IUPAC name is 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID158636247
Molecular FormulaC165H185F9N36O7S7
Molecular Weight3179.99 g/mol
Exact Mass3177.31
IUPAC Name7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NCCc3c(F)cc(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)c(C#N)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1
InChIInChI=1S/C24H27F2N5OS.2C24H28FN5OS.C24H26N6OS.2C23H25F2N5OS.C23H26FN5OS/c1-12(8-29-23(32)22-20(27)21-24(33-22)30-13(2)9-28-21)16-6-18(26)19(7-17(16)25)31-10-14-3-4-15(5-14)11-31;2*1-13(9-28-23(31)22-20(26)21-24(32-22)29-14(2)10-27-21)17-5-6-19(18(25)8-17)30-11-15-3-4-16(7-15)12-30;1-14-11-28-21-20(26)22(32-24(21)29-14)23(31)27-7-6-15-4-5-19(18(9-15)10-25)30-12-16-2-3-17(8-16)13-30;1-12-9-28-20-19(26)21(32-23(20)29-12)22(31)27-5-4-16-17(24)7-15(8-18(16)25)30-10-13-2-3-14(6-13)11-30;1-12-9-28-20-19(26)21(32-23(20)29-12)22(31)27-5-4-15-7-17(25)18(8-16(15)24)30-10-13-2-3-14(6-13)11-30;1-13-10-27-20-19(25)21(31-23(20)28-13)22(30)26-7-6-16-4-5-17(9-18(16)24)29-11-14-2-3-15(8-14)12-29/h6-7,9,12,14-15H,3-5,8,10-11,27H2,1-2H3,(H,29,32);2*5-6,8,10,13,15-16H,3-4,7,9,11-12,26H2,1-2H3,(H,28,31);4-5,9,11,16-17H,2-3,6-8,12-13,26H2,1H3,(H,27,31);2*7-9,13-14H,2-6,10-11,26H2,1H3,(H,27,31);4-5,9-10,14-15H,2-3,6-8,11-12,25H2,1H3,(H,26,30)/t12-,14?,15?;2*13-,15?,16?;;;;/m110..../s1
InChIKeyHZUQKYUHMPNRMT-UUKFSYJISA-N
XLogP29.34
TPSA612.77 Ų
H-Bond Donors14
H-Bond Acceptors43
Rotatable Bonds35
Heavy Atoms224
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003179.99
LogP ≤ 529.34
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1043

Analyze 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 158636247) is 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)NCCc3c(F)cc(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)c(C#N)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1.
What is the InChIKey of 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is HZUQKYUHMPNRMT-UUKFSYJISA-N. The full InChI is InChI=1S/C24H27F2N5OS.2C24H28FN5OS.C24H26N6OS.2C23H25F2N5OS.C23H26FN5OS/c1-12(8-29-23(32)22-20(27)21-24(33-22)30-13(2)9-28-21)16-6-18(26)19(7-17(16)25)31-10-14-3-4-15(5-14)11-31;2*1-13(9-28-23(31)22-20(26)21-24(32-22)29-14(2)10-27-21)17-5-6-19(18(25)8-17)30-11-15-3-4-16(7-15)12-30;1-14-11-28-21-20(26)22(32-24(21)29-14)23(31)27-7-6-15-4-5-19(18(9-15)10-25)30-12-16-2-3-17(8-16)13-30;1-12-9-28-20-19(26)21(32-23(20)29-12)22(31)27-5-4-16-17(24)7-15(8-18(16)25)30-10-13-2-3-14(6-13)11-30;1-12-9-28-20-19(26)21(32-23(20)29-12)22(31)27-5-4-15-7-17(25)18(8-16(15)24)30-10-13-2-3-14(6-13)11-30;1-13-10-27-20-19(25)21(31-23(20)28-13)22(30)26-7-6-16-4-5-17(9-18(16)24)29-11-14-2-3-15(8-14)12-29/h6-7,9,12,14-15H,3-5,8,10-11,27H2,1-2H3,(H,29,32);2*5-6,8,10,13,15-16H,3-4,7,9,11-12,26H2,1-2H3,(H,28,31);4-5,9,11,16-17H,2-3,6-8,12-13,26H2,1H3,(H,27,31);2*7-9,13-14H,2-6,10-11,26H2,1H3,(H,27,31);4-5,9-10,14-15H,2-3,6-8,11-12,25H2,1H3,(H,26,30)/t12-,14?,15?;2*13-,15?,16?;;;;/m110..../s1.
What are the key properties of 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 3179.99 g/mol, XLogP of 29.34, 35 rotatable bonds, 14 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,6-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 158636247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).