3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol

C44H50F6N12O7S2 — CID 162160342

About 3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol

3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol (PubChem CID 162160342) has the molecular formula C44H50F6N12O7S2 and a molecular weight of 1037.08 g/mol. Its IUPAC name is 3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol.

Molecular Properties

• Compound Name: 3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol
• PubChem CID: 162160342
• Molecular Formula: C44H50F6N12O7S2
• Molecular Weight: 1037.08 g/mol
• Exact Mass: 1036.33
• IUPAC Name: 3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol
• SMILES: NC(=O)c1sc2nc(N3CCC(=O)CC3)cc(OCC(F)(F)F)c2c1N.NC(=O)c1sc2nc(N3CCC(NCC(O)c4ccccn4)CC3)cc(OCC(F)(F)F)c2c1N.NCC(O)c1ccccn1
• InChI: InChI=1S/C22H25F3N6O3S.C15H15F3N4O3S.C7H10N2O/c23-22(24,25)11-34-15-9-16(30-21-17(15)18(26)19(35-21)20(27)33)31-7-4-12(5-8-31)29-10-14(32)13-3-1-2-6-28-13;16-15(17,18)6-25-8-5-9(22-3-1-7(23)2-4-22)21-14-10(8)11(19)12(26-14)13(20)24;8-5-7(10)6-3-1-2-4-9-6/h1-3,6,9,12,14,29,32H,4-5,7-8,10-11,26H2,(H2,27,33);5H,1-4,6,19H2,(H2,20,24);1-4,7,10H,5,8H2
• InChIKey: ZMJSTYPQFLGDRM-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 310.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1037.08
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol?

The IUPAC name of 3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol (CID 162160342) is 3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol.

What is the SMILES notation for 3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol?

The canonical SMILES for 3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol is NC(=O)c1sc2nc(N3CCC(=O)CC3)cc(OCC(F)(F)F)c2c1N.NC(=O)c1sc2nc(N3CCC(NCC(O)c4ccccn4)CC3)cc(OCC(F)(F)F)c2c1N.NCC(O)c1ccccn1.

What is the InChIKey of 3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol?

The InChIKey is ZMJSTYPQFLGDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O3S.C15H15F3N4O3S.C7H10N2O/c23-22(24,25)11-34-15-9-16(30-21-17(15)18(26)19(35-21)20(27)33)31-7-4-12(5-8-31)29-10-14(32)13-3-1-2-6-28-13;16-15(17,18)6-25-8-5-9(22-3-1-7(23)2-4-22)21-14-10(8)11(19)12(26-14)13(20)24;8-5-7(10)6-3-1-2-4-9-6/h1-3,6,9,12,14,29,32H,4-5,7-8,10-11,26H2,(H2,27,33);5H,1-4,6,19H2,(H2,20,24);1-4,7,10H,5,8H2.

What are the key properties of 3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol?

3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol has a molecular weight of 1037.08 g/mol, XLogP of 4.77, 14 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol is sourced from PubChem (CID 162160342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).