7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide

C109H125Cl2F2N25O5S5 — CID 158927779

About 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 158927779) has the molecular formula C109H125Cl2F2N25O5S5 and a molecular weight of 2134.61 g/mol. Its IUPAC name is 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 158927779
• Molecular Formula: C109H125Cl2F2N25O5S5
• Molecular Weight: 2134.61 g/mol
• Exact Mass: 2131.82
• IUPAC Name: 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide
• SMILES: Cc1cnc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)c(Cl)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)cc3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(Cl)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1
• InChI: InChI=1S/C23H26ClN5OS.C23H27N5OS.C21H24ClN5OS.C21H23F2N5OS.C21H25N5OS/c1-13-10-27-20-19(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;1-14-11-26-20-19(24)21(30-23(20)27-14)22(29)25-9-8-15-4-6-18(7-5-15)28-12-16-2-3-17(10-16)13-28;1-13-12-25-18-17(23)19(29-21(18)26-13)20(28)24-8-7-14-5-6-16(15(22)11-14)27-9-3-2-4-10-27;1-12-11-26-18-17(24)19(30-21(18)27-12)20(29)25-6-5-13-9-15(23)16(10-14(13)22)28-7-3-2-4-8-28;1-14-13-24-18-17(22)19(28-21(18)25-14)20(27)23-10-9-15-5-7-16(8-6-15)26-11-3-2-4-12-26/h4-5,9-10,15-16H,2-3,6-8,11-12,25H2,1H3,(H,26,30);4-7,11,16-17H,2-3,8-10,12-13,24H2,1H3,(H,25,29);5-6,11-12H,2-4,7-10,23H2,1H3,(H,24,28);9-11H,2-8,24H2,1H3,(H,25,29);5-8,13H,2-4,9-12,22H2,1H3,(H,23,27)
• InChIKey: JIQUHIKWOOPQHL-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 420.70 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2134.61
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide?

The IUPAC name of 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide (CID 158927779) is 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[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-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide?

The canonical SMILES for 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)c(Cl)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)cc3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(Cl)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.

What is the InChIKey of 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide?

The InChIKey is JIQUHIKWOOPQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5OS.C23H27N5OS.C21H24ClN5OS.C21H23F2N5OS.C21H25N5OS/c1-13-10-27-20-19(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;1-14-11-26-20-19(24)21(30-23(20)27-14)22(29)25-9-8-15-4-6-18(7-5-15)28-12-16-2-3-17(10-16)13-28;1-13-12-25-18-17(23)19(29-21(18)26-13)20(28)24-8-7-14-5-6-16(15(22)11-14)27-9-3-2-4-10-27;1-12-11-26-18-17(24)19(30-21(18)27-12)20(29)25-6-5-13-9-15(23)16(10-14(13)22)28-7-3-2-4-8-28;1-14-13-24-18-17(22)19(28-21(18)25-14)20(27)23-10-9-15-5-7-16(8-6-15)26-11-3-2-4-12-26/h4-5,9-10,15-16H,2-3,6-8,11-12,25H2,1H3,(H,26,30);4-7,11,16-17H,2-3,8-10,12-13,24H2,1H3,(H,25,29);5-6,11-12H,2-4,7-10,23H2,1H3,(H,24,28);9-11H,2-8,24H2,1H3,(H,25,29);5-8,13H,2-4,9-12,22H2,1H3,(H,23,27).

What are the key properties of 7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide?

7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 2134.61 g/mol, XLogP of 19.80, 25 rotatable bonds, 10 hydrogen bond donors, and 30 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-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 158927779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).