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-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C44H48F4N10O2S2 — CID 158373626

About 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-(2,5-difluoro-4-piperidin-1-ylphenyl)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-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 158373626) has the molecular formula C44H48F4N10O2S2 and a molecular weight of 889.06 g/mol. Its IUPAC name is 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-(2,5-difluoro-4-piperidin-1-ylphenyl)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)-2,5-difluorophenyl]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
• PubChem CID: 158373626
• Molecular Formula: C44H48F4N10O2S2
• Molecular Weight: 889.06 g/mol
• Exact Mass: 888.33
• IUPAC Name: 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-(2,5-difluoro-4-piperidin-1-ylphenyl)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)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1
• InChI: InChI=1S/C23H25F2N5OS.C21H23F2N5OS/c1-12-9-28-20-19(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;1-12-11-26-18-17(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/h7-9,13-14H,2-6,10-11,26H2,1H3,(H,27,31);9-11H,2-8,24H2,1H3,(H,25,29)
• InChIKey: GUXSSFIBQYVYOI-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 168.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.06
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 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-(2,5-difluoro-4-piperidin-1-ylphenyl)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)-2,5-difluorophenyl]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 (CID 158373626) is 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-(2,5-difluoro-4-piperidin-1-ylphenyl)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)-2,5-difluorophenyl]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?

The canonical SMILES for 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-(2,5-difluoro-4-piperidin-1-ylphenyl)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)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.

What is the InChIKey of 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-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?

The InChIKey is GUXSSFIBQYVYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5OS.C21H23F2N5OS/c1-12-9-28-20-19(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;1-12-11-26-18-17(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/h7-9,13-14H,2-6,10-11,26H2,1H3,(H,27,31);9-11H,2-8,24H2,1H3,(H,25,29).

What are the key properties of 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-(2,5-difluoro-4-piperidin-1-ylphenyl)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-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 889.06 g/mol, XLogP of 7.89, 10 rotatable bonds, 4 hydrogen bond donors, and 12 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)-2,5-difluorophenyl]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 is sourced from PubChem (CID 158373626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).