4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide

C49H61N7O11 — CID 134164445

About 4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide

4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide (PubChem CID 134164445) has the molecular formula C49H61N7O11 and a molecular weight of 924.06 g/mol. Its IUPAC name is 4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: 4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide
• PubChem CID: 134164445
• Molecular Formula: C49H61N7O11
• Molecular Weight: 924.06 g/mol
• Exact Mass: 923.44
• IUPAC Name: 4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide
• SMILES: C=C1[C@@H](C)C(C2CCCC2)c2nc(Nc3ccc(C(=O)NCCCOCCOCCOCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3OC)ccc2N1C
• InChI: InChI=1S/C49H61N7O11/c1-30-31(2)55(3)36-16-18-40(53-45(36)43(30)32-10-5-6-11-32)52-35-15-14-33(28-39(35)63-4)46(59)51-21-9-23-65-25-27-66-26-24-64-22-8-20-50-42(58)29-67-38-13-7-12-34-44(38)49(62)56(48(34)61)37-17-19-41(57)54-47(37)60/h7,12-16,18,28,30,32,37,43H,2,5-6,8-11,17,19-27,29H2,1,3-4H3,(H,50,58)(H,51,59)(H,52,53)(H,54,57,60)/t30-,37?,43?/m1/s1
• InChIKey: FVGUGGMSEKJULL-LQXFSRPMSA-N
• XLogP: 4.86
• TPSA: 216.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.06
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide?

The IUPAC name of 4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide (CID 134164445) is 4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide.

What is the SMILES notation for 4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide?

The canonical SMILES for 4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide is C=C1[C@@H](C)C(C2CCCC2)c2nc(Nc3ccc(C(=O)NCCCOCCOCCOCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3OC)ccc2N1C.

What is the InChIKey of 4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide?

The InChIKey is FVGUGGMSEKJULL-LQXFSRPMSA-N. The full InChI is InChI=1S/C49H61N7O11/c1-30-31(2)55(3)36-16-18-40(53-45(36)43(30)32-10-5-6-11-32)52-35-15-14-33(28-39(35)63-4)46(59)51-21-9-23-65-25-27-66-26-24-64-22-8-20-50-42(58)29-67-38-13-7-12-34-44(38)49(62)56(48(34)61)37-17-19-41(57)54-47(37)60/h7,12-16,18,28,30,32,37,43H,2,5-6,8-11,17,19-27,29H2,1,3-4H3,(H,50,58)(H,51,59)(H,52,53)(H,54,57,60)/t30-,37?,43?/m1/s1.

What are the key properties of 4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide?

4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide has a molecular weight of 924.06 g/mol, XLogP of 4.86, 23 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(7S)-8-cyclopentyl-5,7-dimethyl-6-methylidene-7,8-dihydro-1,5-naphthyridin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide is sourced from PubChem (CID 134164445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).