4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine

C35H37N7O6 — CID 142390797

About 4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine

4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine (PubChem CID 142390797) has the molecular formula C35H37N7O6 and a molecular weight of 651.72 g/mol. Its IUPAC name is 4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine.

Molecular Properties

• Compound Name: 4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine
• PubChem CID: 142390797
• Molecular Formula: C35H37N7O6
• Molecular Weight: 651.72 g/mol
• Exact Mass: 651.28
• IUPAC Name: 4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine
• SMILES: NO.O=C1CCC(N2C(=O)c3cccc(NCCOCCCn4cc(-c5ccc6c(c5)CCC6)c(-c5ccncc5)n4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C35H34N6O5.H3NO/c42-30-11-10-29(33(43)38-30)41-34(44)26-6-2-7-28(31(26)35(41)45)37-16-19-46-18-3-17-40-21-27(32(39-40)23-12-14-36-15-13-23)25-9-8-22-4-1-5-24(22)20-25;1-2/h2,6-9,12-15,20-21,29,37H,1,3-5,10-11,16-19H2,(H,38,42,43);2H,1H2
• InChIKey: WXLYTTWDHPAIQX-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 181.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.72
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine?

The IUPAC name of 4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine (CID 142390797) is 4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine.

What is the SMILES notation for 4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine?

The canonical SMILES for 4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine is NO.O=C1CCC(N2C(=O)c3cccc(NCCOCCCn4cc(-c5ccc6c(c5)CCC6)c(-c5ccncc5)n4)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine?

The InChIKey is WXLYTTWDHPAIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O5.H3NO/c42-30-11-10-29(33(43)38-30)41-34(44)26-6-2-7-28(31(26)35(41)45)37-16-19-46-18-3-17-40-21-27(32(39-40)23-12-14-36-15-13-23)25-9-8-22-4-1-5-24(22)20-25;1-2/h2,6-9,12-15,20-21,29,37H,1,3-5,10-11,16-19H2,(H,38,42,43);2H,1H2.

What are the key properties of 4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine?

4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine has a molecular weight of 651.72 g/mol, XLogP of 3.36, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-[4-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydroxylamine is sourced from PubChem (CID 142390797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).