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

C22H25F3N6O3S — CID 11375659

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-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11375659) has the molecular formula C22H25F3N6O3S and a molecular weight of 510.54 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.

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
• PubChem CID: 11375659
• Molecular Formula: C22H25F3N6O3S
• Molecular Weight: 510.54 g/mol
• Exact Mass: 510.17
• 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
• SMILES: NC(=O)c1sc2nc(N3CCC(NCC(O)c4ccccn4)CC3)cc(OCC(F)(F)F)c2c1N
• InChI: InChI=1S/C22H25F3N6O3S/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/h1-3,6,9,12,14,29,32H,4-5,7-8,10-11,26H2,(H2,27,33)
• InChIKey: NHUUNTSHTGGMPR-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 139.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.54
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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?

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 (CID 11375659) 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.

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?

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 is NC(=O)c1sc2nc(N3CCC(NCC(O)c4ccccn4)CC3)cc(OCC(F)(F)F)c2c1N.

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?

The InChIKey is NHUUNTSHTGGMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O3S/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/h1-3,6,9,12,14,29,32H,4-5,7-8,10-11,26H2,(H2,27,33).

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-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 510.54 g/mol, XLogP of 2.61, 8 rotatable bonds, 4 hydrogen bond donors, and 9 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 is sourced from PubChem (CID 11375659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).