tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate

C42H65N7O6S2 — CID 158353373

About tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate

tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 158353373) has the molecular formula C42H65N7O6S2 and a molecular weight of 828.16 g/mol. Its IUPAC name is tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate
• PubChem CID: 158353373
• Molecular Formula: C42H65N7O6S2
• Molecular Weight: 828.16 g/mol
• Exact Mass: 827.44
• IUPAC Name: tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate
• SMILES: Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN(C)CCN(C)C.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCCCC1
• InChI: InChI=1S/C21H34N4O3S.C21H31N3O3S/c1-13-15-16(22)18(20(26)28-21(3,4)5)29-19(15)23-14(2)17(13)27-12-11-25(8)10-9-24(6)7;1-13-15-16(22)18(20(25)27-21(3,4)5)28-19(15)23-14(2)17(13)26-12-11-24-9-7-6-8-10-24/h9-12,22H2,1-8H3;6-12,22H2,1-5H3
• InChIKey: GSOWZNLQDKYXPG-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 158.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	828.16
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate?

The IUPAC name of tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate (CID 158353373) is tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate.

What is the SMILES notation for tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate?

The canonical SMILES for tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate is Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN(C)CCN(C)C.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCCCC1.

What is the InChIKey of tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate?

The InChIKey is GSOWZNLQDKYXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3S.C21H31N3O3S/c1-13-15-16(22)18(20(26)28-21(3,4)5)29-19(15)23-14(2)17(13)27-12-11-25(8)10-9-24(6)7;1-13-15-16(22)18(20(25)27-21(3,4)5)28-19(15)23-14(2)17(13)26-12-11-24-9-7-6-8-10-24/h9-12,22H2,1-8H3;6-12,22H2,1-5H3.

What are the key properties of tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate?

tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 828.16 g/mol, XLogP of 7.64, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-amino-5-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 158353373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).