3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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

C61H69F9N16O11S3 — CID 159637906

About 3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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 159637906) has the molecular formula C61H69F9N16O11S3 and a molecular weight of 1469.51 g/mol. Its IUPAC name is 3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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: 159637906
• Molecular Formula: C61H69F9N16O11S3
• Molecular Weight: 1469.51 g/mol
• Exact Mass: 1468.44
• IUPAC Name: 3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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.NC(=O)c1sc2nc(N3CCC4(CC3)OCCO4)cc(OCC(F)(F)F)c2c1N.NCC(O)c1ccccn1
• InChI: InChI=1S/C22H25F3N6O3S.C17H19F3N4O4S.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;18-17(19,20)8-26-9-7-10(23-15-11(9)12(21)13(29-15)14(22)25)24-3-1-16(2-4-24)27-5-6-28-16;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);7H,1-6,8,21H2,(H2,22,25);5H,1-4,6,19H2,(H2,20,24);1-4,7,10H,5,8H2
• InChIKey: MPYZTWUXMWTRDC-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 423.23 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1469.51
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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 159637906) is 3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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.NC(=O)c1sc2nc(N3CCC4(CC3)OCCO4)cc(OCC(F)(F)F)c2c1N.NCC(O)c1ccccn1.

What is the InChIKey of 3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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 MPYZTWUXMWTRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O3S.C17H19F3N4O4S.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;18-17(19,20)8-26-9-7-10(23-15-11(9)12(21)13(29-15)14(22)25)24-3-1-16(2-4-24)27-5-6-28-16;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);7H,1-6,8,21H2,(H2,22,25);5H,1-4,6,19H2,(H2,20,24);1-4,7,10H,5,8H2.

What are the key properties of 3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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 1469.51 g/mol, XLogP of 7.03, 18 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-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;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 159637906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).