2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione

C95H116N12O23S3 — CID 163534465

About 2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione

2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione (PubChem CID 163534465) has the molecular formula C95H116N12O23S3 and a molecular weight of 1890.23 g/mol. Its IUPAC name is 2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione.

Molecular Properties

• Compound Name: 2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione
• PubChem CID: 163534465
• Molecular Formula: C95H116N12O23S3
• Molecular Weight: 1890.23 g/mol
• Exact Mass: 1888.74
• IUPAC Name: 2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione
• SMILES: COc1ccccc1[C@H](CN1C(=O)C2(CCN(C(=O)NCCO)CC2)C(=O)c2c1sc(-c1ncco1)c2C)OC1CCOCC1.COc1ccccc1[C@H](CN1C(=O)C2(CCN(C(=O)NCCO)CC2)C(=O)c2c1sc(-c1ncco1)c2C)OC1CCOCC1.COc1ccccc1[C@H](CN1C(=O)C2(CCNCC2)C(=O)c2c1sc(-c1ncco1)c2C)OC1CCOCC1.NCCO
• InChI: InChI=1S/2C32H38N4O8S.C29H33N3O6S.C2H7NO/c2*1-20-25-27(38)32(9-13-35(14-10-32)31(40)34-11-15-37)30(39)36(29(25)45-26(20)28-33-12-18-43-28)19-24(44-21-7-16-42-17-8-21)22-5-3-4-6-23(22)41-2;1-18-23-25(33)29(9-11-30-12-10-29)28(34)32(27(23)39-24(18)26-31-13-16-37-26)17-22(38-19-7-14-36-15-8-19)20-5-3-4-6-21(20)35-2;3-1-2-4/h2*3-6,12,18,21,24,37H,7-11,13-17,19H2,1-2H3,(H,34,40);3-6,13,16,19,22,30H,7-12,14-15,17H2,1-2H3;4H,1-3H2/t2*24-;22-;/m000./s1
• InChIKey: DVTROHGTQGNRCX-LOFMFGQZSA-N
• XLogP: 11.43
• TPSA: 436.72 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1890.23
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione?

The IUPAC name of 2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione (CID 163534465) is 2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione.

What is the SMILES notation for 2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione?

The canonical SMILES for 2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione is COc1ccccc1[C@H](CN1C(=O)C2(CCN(C(=O)NCCO)CC2)C(=O)c2c1sc(-c1ncco1)c2C)OC1CCOCC1.COc1ccccc1[C@H](CN1C(=O)C2(CCN(C(=O)NCCO)CC2)C(=O)c2c1sc(-c1ncco1)c2C)OC1CCOCC1.COc1ccccc1[C@H](CN1C(=O)C2(CCNCC2)C(=O)c2c1sc(-c1ncco1)c2C)OC1CCOCC1.NCCO.

What is the InChIKey of 2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione?

The InChIKey is DVTROHGTQGNRCX-LOFMFGQZSA-N. The full InChI is InChI=1S/2C32H38N4O8S.C29H33N3O6S.C2H7NO/c2*1-20-25-27(38)32(9-13-35(14-10-32)31(40)34-11-15-37)30(39)36(29(25)45-26(20)28-33-12-18-43-28)19-24(44-21-7-16-42-17-8-21)22-5-3-4-6-23(22)41-2;1-18-23-25(33)29(9-11-30-12-10-29)28(34)32(27(23)39-24(18)26-31-13-16-37-26)17-22(38-19-7-14-36-15-8-19)20-5-3-4-6-21(20)35-2;3-1-2-4/h2*3-6,12,18,21,24,37H,7-11,13-17,19H2,1-2H3,(H,34,40);3-6,13,16,19,22,30H,7-12,14-15,17H2,1-2H3;4H,1-3H2/t2*24-;22-;/m000./s1.

What are the key properties of 2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione?

2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione has a molecular weight of 1890.23 g/mol, XLogP of 11.43, 26 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethanol;bis(N-(2-hydroxyethyl)-7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide);7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)spiro[piperidine-4,5'-thieno[2,3-b]pyridine]-4',6'-dione is sourced from PubChem (CID 163534465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).