N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C72H75F6N11O3S3 — CID 159252208

About N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159252208) has the molecular formula C72H75F6N11O3S3 and a molecular weight of 1352.65 g/mol. Its IUPAC name is N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 159252208
• Molecular Formula: C72H75F6N11O3S3
• Molecular Weight: 1352.65 g/mol
• Exact Mass: 1351.51
• IUPAC Name: N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(C)c(C(=O)NCCc3cc(F)c(NC4CNC4)cc3F)sc2n1.Cc1nc2sc(C(=O)NCCc3cc(F)c(N4CC5CCC(C5)C4)cc3F)c(C)c2cc1F.Cc1nc2sc(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)c(C#N)c3)c(C)c2cc1F
• InChI: InChI=1S/C26H27FN4OS.C25H26F3N3OS.C21H22F2N4OS/c1-15-21-11-22(27)16(2)30-26(21)33-24(15)25(32)29-8-7-17-5-6-23(20(10-17)12-28)31-13-18-3-4-19(9-18)14-31;1-13-18-9-19(26)14(2)30-25(18)33-23(13)24(32)29-6-5-17-8-21(28)22(10-20(17)27)31-11-15-3-4-16(7-15)12-31;1-11-3-4-15-12(2)19(29-21(15)26-11)20(28)25-6-5-13-7-17(23)18(8-16(13)22)27-14-9-24-10-14/h5-6,10-11,18-19H,3-4,7-9,13-14H2,1-2H3,(H,29,32);8-10,15-16H,3-7,11-12H2,1-2H3,(H,29,32);3-4,7-8,14,24,27H,5-6,9-10H2,1-2H3,(H,25,28)
• InChIKey: KVLCATOUHJAAKW-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 180.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1352.65
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 159252208) is N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(C)c(C(=O)NCCc3cc(F)c(NC4CNC4)cc3F)sc2n1.Cc1nc2sc(C(=O)NCCc3cc(F)c(N4CC5CCC(C5)C4)cc3F)c(C)c2cc1F.Cc1nc2sc(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)c(C#N)c3)c(C)c2cc1F.

What is the InChIKey of N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is KVLCATOUHJAAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4OS.C25H26F3N3OS.C21H22F2N4OS/c1-15-21-11-22(27)16(2)30-26(21)33-24(15)25(32)29-8-7-17-5-6-23(20(10-17)12-28)31-13-18-3-4-19(9-18)14-31;1-13-18-9-19(26)14(2)30-25(18)33-23(13)24(32)29-6-5-17-8-21(28)22(10-20(17)27)31-11-15-3-4-16(7-15)12-31;1-11-3-4-15-12(2)19(29-21(15)26-11)20(28)25-6-5-13-7-17(23)18(8-16(13)22)27-14-9-24-10-14/h5-6,10-11,18-19H,3-4,7-9,13-14H2,1-2H3,(H,29,32);8-10,15-16H,3-7,11-12H2,1-2H3,(H,29,32);3-4,7-8,14,24,27H,5-6,9-10H2,1-2H3,(H,25,28).

What are the key properties of N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1352.65 g/mol, XLogP of 14.22, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[4-(azetidin-3-ylamino)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159252208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).