3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C37H39N5O6S — CID 167371037

About 3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167371037) has the molecular formula C37H39N5O6S and a molecular weight of 681.82 g/mol. Its IUPAC name is 3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 167371037
• Molecular Formula: C37H39N5O6S
• Molecular Weight: 681.82 g/mol
• Exact Mass: 681.26
• IUPAC Name: 3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3ccsc23)cc(OC)c1CN1CCN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC12CCC2
• InChI: InChI=1S/C37H39N5O6S/c1-39-19-27(33-26(35(39)45)9-14-49-33)22-16-30(47-2)28(31(17-22)48-3)20-41-13-12-40(21-37(41)10-4-11-37)24-5-6-25-23(15-24)18-42(36(25)46)29-7-8-32(43)38-34(29)44/h5-6,9,14-17,19,29H,4,7-8,10-13,18,20-21H2,1-3H3,(H,38,43,44)
• InChIKey: UVKAJEHIISMWCU-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 113.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	681.82
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167371037) is 3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3ccsc23)cc(OC)c1CN1CCN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC12CCC2.

What is the InChIKey of 3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is UVKAJEHIISMWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N5O6S/c1-39-19-27(33-26(35(39)45)9-14-49-33)22-16-30(47-2)28(31(17-22)48-3)20-41-13-12-40(21-37(41)10-4-11-37)24-5-6-25-23(15-24)18-42(36(25)46)29-7-8-32(43)38-34(29)44/h5-6,9,14-17,19,29H,4,7-8,10-13,18,20-21H2,1-3H3,(H,38,43,44).

What are the key properties of 3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 681.82 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[5-[[2,6-dimethoxy-4-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167371037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).