3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C67H72Cl2F6N12O3S3 — CID 161240528

About 3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 161240528) has the molecular formula C67H72Cl2F6N12O3S3 and a molecular weight of 1374.49 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 161240528
• Molecular Formula: C67H72Cl2F6N12O3S3
• Molecular Weight: 1374.49 g/mol
• Exact Mass: 1372.43
• IUPAC Name: 3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cc(C(F)(F)F)c2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)c(Cl)c3)sc2n1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCCCC4)c(Cl)c3)c(N)c2cc1F
• InChI: InChI=1S/C23H24F4N4OS.2C22H24ClFN4OS/c1-13-11-15(23(25,26)27)18-19(28)20(33-22(18)30-13)21(32)29-8-7-14-5-6-17(16(24)12-14)31-9-3-2-4-10-31;1-13-17(24)12-15-19(25)20(30-22(15)27-13)21(29)26-8-7-14-5-6-18(16(23)11-14)28-9-3-2-4-10-28;1-13-5-6-15-18(25)20(30-22(15)27-13)21(29)26-8-7-14-11-16(23)19(17(24)12-14)28-9-3-2-4-10-28/h5-6,11-12H,2-4,7-10,28H2,1H3,(H,29,32);2*5-6,11-12H,2-4,7-10,25H2,1H3,(H,26,29)
• InChIKey: UZXZVDREIVWSHL-UHFFFAOYSA-N
• XLogP: 15.19
• TPSA: 213.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1374.49
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 161240528) is 3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C(F)(F)F)c2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)c(Cl)c3)sc2n1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCCCC4)c(Cl)c3)c(N)c2cc1F.

What is the InChIKey of 3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is UZXZVDREIVWSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4OS.2C22H24ClFN4OS/c1-13-11-15(23(25,26)27)18-19(28)20(33-22(18)30-13)21(32)29-8-7-14-5-6-17(16(24)12-14)31-9-3-2-4-10-31;1-13-17(24)12-15-19(25)20(30-22(15)27-13)21(29)26-8-7-14-5-6-18(16(23)11-14)28-9-3-2-4-10-28;1-13-5-6-15-18(25)20(30-22(15)27-13)21(29)26-8-7-14-11-16(23)19(17(24)12-14)28-9-3-2-4-10-28/h5-6,11-12H,2-4,7-10,28H2,1H3,(H,29,32);2*5-6,11-12H,2-4,7-10,25H2,1H3,(H,26,29).

What are the key properties of 3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1374.49 g/mol, XLogP of 15.19, 15 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(3-chloro-5-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 161240528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).