5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C46H47N9O5 — CID 164853441

About 5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 164853441) has the molecular formula C46H47N9O5 and a molecular weight of 805.94 g/mol. Its IUPAC name is 5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 164853441
• Molecular Formula: C46H47N9O5
• Molecular Weight: 805.94 g/mol
• Exact Mass: 805.37
• IUPAC Name: 5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: COc1cc(N2CC3(CCN(CC4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)C2)ccc1Nc1nccc(-c2cn(C3CC3)c3ccccc23)n1
• InChI: InChI=1S/C46H47N9O5/c1-60-40-21-31(9-11-37(40)49-45-47-17-14-36(48-45)35-25-54(29-6-7-29)38-5-3-2-4-32(35)38)53-26-46(27-53)15-18-51(19-16-46)22-28-23-52(24-28)30-8-10-33-34(20-30)44(59)55(43(33)58)39-12-13-41(56)50-42(39)57/h2-5,8-11,14,17,20-21,25,28-29,39H,6-7,12-13,15-16,18-19,22-24,26-27H2,1H3,(H,47,48,49)(H,50,56,57)
• InChIKey: IREXNSGDLYFMQH-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 145.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	805.94
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
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 5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 164853441) is 5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(N2CC3(CCN(CC4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)C2)ccc1Nc1nccc(-c2cn(C3CC3)c3ccccc23)n1.

What is the InChIKey of 5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is IREXNSGDLYFMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H47N9O5/c1-60-40-21-31(9-11-37(40)49-45-47-17-14-36(48-45)35-25-54(29-6-7-29)38-5-3-2-4-32(35)38)53-26-46(27-53)15-18-51(19-16-46)22-28-23-52(24-28)30-8-10-33-34(20-30)44(59)55(43(33)58)39-12-13-41(56)50-42(39)57/h2-5,8-11,14,17,20-21,25,28-29,39H,6-7,12-13,15-16,18-19,22-24,26-27H2,1H3,(H,47,48,49)(H,50,56,57).

What are the key properties of 5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 805.94 g/mol, XLogP of 5.63, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[2-[4-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 164853441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).