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

C96H110F6N20O4S4 — CID 158460930

About 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

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 (PubChem CID 158460930) has the molecular formula C96H110F6N20O4S4 and a molecular weight of 1850.33 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158460930
• Molecular Formula: C96H110F6N20O4S4
• Molecular Weight: 1850.33 g/mol
• Exact Mass: 1848.78
• IUPAC Name: 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
• SMILES: Cc1cnc2c(N)c(C(=O)NCC(C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NCC(C)c3ccc(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)cc3F)sc2n1
• InChI: InChI=1S/2C24H27F2N5OS.2C24H28FN5OS/c2*1-12(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)18-6-5-17(8-19(18)25)30-11-15-3-4-16(7-15)12-30/h2*6-7,9,12,14-15H,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)/t12-,14?,15?;;13-,15?,16?;/m0.0./s1
• InChIKey: HFDUZGMQROGWBJ-RWXDCGAFSA-N
• XLogP: 18.24
• TPSA: 336.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1850.33
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cnc2c(N)c(C(=O)NCC(C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NCC(C)c3ccc(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)cc3F)sc2n1.

What is the InChIKey of 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?

The InChIKey is HFDUZGMQROGWBJ-RWXDCGAFSA-N. The full InChI is InChI=1S/2C24H27F2N5OS.2C24H28FN5OS/c2*1-12(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)18-6-5-17(8-19(18)25)30-11-15-3-4-16(7-15)12-30/h2*6-7,9,12,14-15H,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)/t12-,14?,15?;;13-,15?,16?;/m0.0./s1.

What are the key properties of 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?

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 has a molecular weight of 1850.33 g/mol, XLogP of 18.24, 20 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158460930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).