4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C46H43N9O7 — CID 171808905

About 4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 171808905) has the molecular formula C46H43N9O7 and a molecular weight of 833.91 g/mol. Its IUPAC name is 4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 171808905
• Molecular Formula: C46H43N9O7
• Molecular Weight: 833.91 g/mol
• Exact Mass: 833.33
• IUPAC Name: 4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: CC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(-c5ccc(C(=O)N6CC7(C6)CN(c6cccc8c6C(=O)N(C6CCC(=O)NC6=O)C8=O)C7)nc5)ncc34)c2C1
• InChI: InChI=1S/C46H43N9O7/c1-26(56)51-14-15-54-37(21-51)40(50-41(54)27-12-16-62-17-13-27)30-5-2-4-28-18-34(48-20-32(28)30)29-8-9-33(47-19-29)44(60)53-24-46(25-53)22-52(23-46)35-7-3-6-31-39(35)45(61)55(43(31)59)36-10-11-38(57)49-42(36)58/h2-9,18-20,27,36H,10-17,21-25H2,1H3,(H,49,57,58)
• InChIKey: HTIYSHVDVSNPIH-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 180.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.91
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 171808905) is 4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(-c5ccc(C(=O)N6CC7(C6)CN(c6cccc8c6C(=O)N(C6CCC(=O)NC6=O)C8=O)C7)nc5)ncc34)c2C1.

What is the InChIKey of 4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is HTIYSHVDVSNPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H43N9O7/c1-26(56)51-14-15-54-37(21-51)40(50-41(54)27-12-16-62-17-13-27)30-5-2-4-28-18-34(48-20-32(28)30)29-8-9-33(47-19-29)44(60)53-24-46(25-53)22-52(23-46)35-7-3-6-31-39(35)45(61)55(43(31)59)36-10-11-38(57)49-42(36)58/h2-9,18-20,27,36H,10-17,21-25H2,1H3,(H,49,57,58).

What are the key properties of 4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 833.91 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[5-[8-[7-acetyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 171808905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).