N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione

C39H47N7O5 — CID 178055961

About N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione

N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione (PubChem CID 178055961) has the molecular formula C39H47N7O5 and a molecular weight of 693.85 g/mol. Its IUPAC name is N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione.

Molecular Properties

• Compound Name: N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione
• PubChem CID: 178055961
• Molecular Formula: C39H47N7O5
• Molecular Weight: 693.85 g/mol
• Exact Mass: 693.36
• IUPAC Name: N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione
• SMILES: CCC(c1cc2cnc(NC(=O)c3ccc(OCCC4CCN(c5cccc6c5CNC6=O)CC4)cc3)cc2[nH]1)N(C)C.O=C1CCCC(=O)N1
• InChI: InChI=1S/C34H40N6O3.C5H7NO2/c1-4-30(39(2)3)29-18-24-20-35-32(19-28(24)37-29)38-33(41)23-8-10-25(11-9-23)43-17-14-22-12-15-40(16-13-22)31-7-5-6-26-27(31)21-36-34(26)42;7-4-2-1-3-5(8)6-4/h5-11,18-20,22,30,37H,4,12-17,21H2,1-3H3,(H,36,42)(H,35,38,41);1-3H2,(H,6,7,8)
• InChIKey: YRFVLPFRZHOUCL-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 148.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.85
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione?

The IUPAC name of N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione (CID 178055961) is N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione.

What is the SMILES notation for N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione?

The canonical SMILES for N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione is CCC(c1cc2cnc(NC(=O)c3ccc(OCCC4CCN(c5cccc6c5CNC6=O)CC4)cc3)cc2[nH]1)N(C)C.O=C1CCCC(=O)N1.

What is the InChIKey of N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione?

The InChIKey is YRFVLPFRZHOUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O3.C5H7NO2/c1-4-30(39(2)3)29-18-24-20-35-32(19-28(24)37-29)38-33(41)23-8-10-25(11-9-23)43-17-14-22-12-15-40(16-13-22)31-7-5-6-26-27(31)21-36-34(26)42;7-4-2-1-3-5(8)6-4/h5-11,18-20,22,30,37H,4,12-17,21H2,1-3H3,(H,36,42)(H,35,38,41);1-3H2,(H,6,7,8).

What are the key properties of N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione?

N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione has a molecular weight of 693.85 g/mol, XLogP of 5.57, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[2-[1-(1-oxo-2,3-dihydroisoindol-4-yl)piperidin-4-yl]ethoxy]benzamide;piperidine-2,6-dione is sourced from PubChem (CID 178055961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).