7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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

C111H125Cl2F2N25O5S5 — CID 162096941

About 7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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 162096941) has the molecular formula C111H125Cl2F2N25O5S5 and a molecular weight of 2158.63 g/mol. Its IUPAC name is 7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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: 162096941
• Molecular Formula: C111H125Cl2F2N25O5S5
• Molecular Weight: 2158.63 g/mol
• Exact Mass: 2155.82
• IUPAC Name: 7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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(N4CC5CC6CCC65C4)c(Cl)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CC6CCC65C4)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/C24H26ClN5OS.C24H27N5OS.C21H24ClN5OS.C21H23F2N5OS.C21H25N5OS/c1-13-10-28-20-19(26)21(32-23(20)29-13)22(31)27-7-5-14-2-3-18(17(25)8-14)30-11-16-9-15-4-6-24(15,16)12-30;1-14-11-27-20-19(25)21(31-23(20)28-14)22(30)26-9-7-15-2-4-18(5-3-15)29-12-17-10-16-6-8-24(16,17)13-29;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/h2-3,8,10,15-16H,4-7,9,11-12,26H2,1H3,(H,27,31);2-5,11,16-17H,6-10,12-13,25H2,1H3,(H,26,30);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: ZEJIJHZFTZINQJ-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 420.70 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2158.63
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-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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 162096941) is 7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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(N4CC5CC6CCC65C4)c(Cl)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CC6CCC65C4)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-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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 ZEJIJHZFTZINQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5OS.C24H27N5OS.C21H24ClN5OS.C21H23F2N5OS.C21H25N5OS/c1-13-10-28-20-19(26)21(32-23(20)29-13)22(31)27-7-5-14-2-3-18(17(25)8-14)30-11-16-9-15-4-6-24(15,16)12-30;1-14-11-27-20-19(25)21(31-23(20)28-14)22(30)26-9-7-15-2-4-18(5-3-15)29-12-17-10-16-6-8-24(16,17)13-29;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/h2-3,8,10,15-16H,4-7,9,11-12,26H2,1H3,(H,27,31);2-5,11,16-17H,6-10,12-13,25H2,1H3,(H,26,30);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-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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 2158.63 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-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-chlorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-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 162096941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).