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

C93H103F4N21O4S4 — CID 159876893

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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 159876893) has the molecular formula C93H103F4N21O4S4 and a molecular weight of 1783.25 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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 159876893
• Molecular Formula: C93H103F4N21O4S4
• Molecular Weight: 1783.25 g/mol
• Exact Mass: 1781.73
• IUPAC Name: 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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
• SMILES: 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)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1
• InChI: InChI=1S/C24H26N6OS.C23H25F2N5OS.2C23H26FN5OS/c1-14-11-28-21-20(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)27-5-4-15-7-17(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)26-7-6-14-4-5-18(17(24)9-14)29-11-15-2-3-16(8-15)12-29;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/h4-5,9,11,16-17H,2-3,6-8,12-13,26H2,1H3,(H,27,31);7-9,13-14H,2-6,10-11,26H2,1H3,(H,27,31);4-5,9-10,15-16H,2-3,6-8,11-12,25H2,1H3,(H,26,30);4-5,9-10,14-15H,2-3,6-8,11-12,25H2,1H3,(H,26,30)
• InChIKey: NTACOVNXDCCUHR-UHFFFAOYSA-N
• XLogP: 15.59
• TPSA: 360.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1783.25
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 159876893) 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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is 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)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)cc3F)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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?

The InChIKey is NTACOVNXDCCUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS.C23H25F2N5OS.2C23H26FN5OS/c1-14-11-28-21-20(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)27-5-4-15-7-17(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)26-7-6-14-4-5-18(17(24)9-14)29-11-15-2-3-16(8-15)12-29;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/h4-5,9,11,16-17H,2-3,6-8,12-13,26H2,1H3,(H,27,31);7-9,13-14H,2-6,10-11,26H2,1H3,(H,27,31);4-5,9-10,15-16H,2-3,6-8,11-12,25H2,1H3,(H,26,30);4-5,9-10,14-15H,2-3,6-8,11-12,25H2,1H3,(H,26,30).

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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 1783.25 g/mol, XLogP of 15.59, 20 rotatable bonds, 8 hydrogen bond donors, and 25 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-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 159876893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).