3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C42H38N6O7 — CID 170067270

About 3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 170067270) has the molecular formula C42H38N6O7 and a molecular weight of 738.80 g/mol. Its IUPAC name is 3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• PubChem CID: 170067270
• Molecular Formula: C42H38N6O7
• Molecular Weight: 738.80 g/mol
• Exact Mass: 738.28
• IUPAC Name: 3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnc(C4CC4)cc23)cc(OC)c1CN1Cc2ccc(-c3cccc4c3n(C)c(=O)n4C3CCC(=O)NC3=O)cc2C1=O
• InChI: InChI=1S/C42H38N6O7/c1-45-20-30(28-17-32(22-8-9-22)43-18-29(28)40(45)51)25-15-35(54-3)31(36(16-25)55-4)21-47-19-24-11-10-23(14-27(24)41(47)52)26-6-5-7-33-38(26)46(2)42(53)48(33)34-12-13-37(49)44-39(34)50/h5-7,10-11,14-18,20,22,34H,8-9,12-13,19,21H2,1-4H3,(H,44,49,50)
• InChIKey: OSPODSFLYQMVST-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 146.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.80
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 170067270) is 3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3cnc(C4CC4)cc23)cc(OC)c1CN1Cc2ccc(-c3cccc4c3n(C)c(=O)n4C3CCC(=O)NC3=O)cc2C1=O.

What is the InChIKey of 3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The InChIKey is OSPODSFLYQMVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N6O7/c1-45-20-30(28-17-32(22-8-9-22)43-18-29(28)40(45)51)25-15-35(54-3)31(36(16-25)55-4)21-47-19-24-11-10-23(14-27(24)41(47)52)26-6-5-7-33-38(26)46(2)42(53)48(33)34-12-13-37(49)44-39(34)50/h5-7,10-11,14-18,20,22,34H,8-9,12-13,19,21H2,1-4H3,(H,44,49,50).

What are the key properties of 3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 738.80 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-[[4-(6-cyclopropyl-2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenyl]methyl]-3-oxo-1H-isoindol-5-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 170067270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).