bis(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

C89H101N11O20S3 — CID 163868992

About bis(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

bis(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 163868992) has the molecular formula C89H101N11O20S3 and a molecular weight of 1741.04 g/mol. Its IUPAC name is bis(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: bis(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: 163868992
• Molecular Formula: C89H101N11O20S3
• Molecular Weight: 1741.04 g/mol
• Exact Mass: 1739.64
• IUPAC Name: bis(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(N)=O)CC2)C(=O)c2c1sc(-c1ncco1)c2C)OC1CCOCC1.COc1ccccc1[C@H](CN1C(=O)C2(CCN(C(N)=O)CC2)C(=O)c2c1sc(-c1ncco1)c2C)OC1CCOCC1.COc1ccccc1[C@H](CN1C(=O)C2(CCNCC2)C(=O)c2c1sc(-c1ncco1)c2C)OC1CCOCC1
• InChI: InChI=1S/2C30H34N4O7S.C29H33N3O6S/c2*1-18-23-25(35)30(9-12-33(13-10-30)29(31)37)28(36)34(27(23)42-24(18)26-32-11-16-40-26)17-22(41-19-7-14-39-15-8-19)20-5-3-4-6-21(20)38-2;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/h2*3-6,11,16,19,22H,7-10,12-15,17H2,1-2H3,(H2,31,37);3-6,13,16,19,22,30H,7-12,14-15,17H2,1-2H3/t3*22-/m000/s1
• InChIKey: PJDHJGOOILXXBU-PMWRCNAOSA-N
• XLogP: 13.25
• TPSA: 377.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1741.04
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(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 bis(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 163868992) is bis(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 bis(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 bis(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(N)=O)CC2)C(=O)c2c1sc(-c1ncco1)c2C)OC1CCOCC1.COc1ccccc1[C@H](CN1C(=O)C2(CCN(C(N)=O)CC2)C(=O)c2c1sc(-c1ncco1)c2C)OC1CCOCC1.COc1ccccc1[C@H](CN1C(=O)C2(CCNCC2)C(=O)c2c1sc(-c1ncco1)c2C)OC1CCOCC1.

What is the InChIKey of bis(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 PJDHJGOOILXXBU-PMWRCNAOSA-N. The full InChI is InChI=1S/2C30H34N4O7S.C29H33N3O6S/c2*1-18-23-25(35)30(9-12-33(13-10-30)29(31)37)28(36)34(27(23)42-24(18)26-32-11-16-40-26)17-22(41-19-7-14-39-15-8-19)20-5-3-4-6-21(20)38-2;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/h2*3-6,11,16,19,22H,7-10,12-15,17H2,1-2H3,(H2,31,37);3-6,13,16,19,22,30H,7-12,14-15,17H2,1-2H3/t3*22-/m000/s1.

What are the key properties of bis(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?

bis(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 1741.04 g/mol, XLogP of 13.25, 21 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(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 163868992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).