3-[6-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C42H47ClN8O6 — CID 167395359

About 3-[6-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167395359) has the molecular formula C42H47ClN8O6 and a molecular weight of 795.34 g/mol. Its IUPAC name is 3-[6-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 167395359
• Molecular Formula: C42H47ClN8O6
• Molecular Weight: 795.34 g/mol
• Exact Mass: 794.33
• IUPAC Name: 3-[6-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: COc1cc(-c2c[nH]c(=O)c3cnc(N(C)C)cc23)cc(Cl)c1C(=O)N1CCN(CCC2CCN(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1
• InChI: InChI=1S/C42H47ClN8O6/c1-47(2)36-21-30-31(22-45-39(53)32(30)23-44-36)26-19-33(43)38(35(20-26)57-3)42(56)50-16-14-48(15-17-50)11-8-25-9-12-49(13-10-25)28-4-5-29-27(18-28)24-51(41(29)55)34-6-7-37(52)46-40(34)54/h4-5,18-23,25,34H,6-17,24H2,1-3H3,(H,45,53)(H,46,52,54)
• InChIKey: XCPSIVWOVHWSNS-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 151.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	795.34
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
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-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167395359) is 3-[6-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1cc(-c2c[nH]c(=O)c3cnc(N(C)C)cc23)cc(Cl)c1C(=O)N1CCN(CCC2CCN(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1.

What is the InChIKey of 3-[6-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is XCPSIVWOVHWSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H47ClN8O6/c1-47(2)36-21-30-31(22-45-39(53)32(30)23-44-36)26-19-33(43)38(35(20-26)57-3)42(56)50-16-14-48(15-17-50)11-8-25-9-12-49(13-10-25)28-4-5-29-27(18-28)24-51(41(29)55)34-6-7-37(52)46-40(34)54/h4-5,18-23,25,34H,6-17,24H2,1-3H3,(H,45,53)(H,46,52,54).

What are the key properties of 3-[6-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 795.34 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[4-[2-[4-[2-chloro-4-[6-(dimethylamino)-1-oxo-2H-2,7-naphthyridin-4-yl]-6-methoxybenzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167395359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).