N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide

C57H68FN8O4P — CID 176968411

About N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide

N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide (PubChem CID 176968411) has the molecular formula C57H68FN8O4P and a molecular weight of 979.19 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide.

Molecular Properties

• Compound Name: N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide
• PubChem CID: 176968411
• Molecular Formula: C57H68FN8O4P
• Molecular Weight: 979.19 g/mol
• Exact Mass: 978.51
• IUPAC Name: N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide
• SMILES: C#Cc1c(F)ccc2cccc(-c3ncc4c(N5CCCC(C)C5)nc(OCC5(CN6CCC(CN7CCC(c8cccc(N(C(C)=O)C9CCC(=O)NC9=O)c8C(C)C)CC7)CC6)CC5)nc4c3P)c12
• InChI: InChI=1S/C57H68FN8O4P/c1-6-41-45(58)16-15-40-11-7-13-43(50(40)41)51-53(71)52-44(30-59-51)54(65-25-9-10-36(4)31-65)62-56(61-52)70-34-57(23-24-57)33-64-26-19-38(20-27-64)32-63-28-21-39(22-29-63)42-12-8-14-46(49(42)35(2)3)66(37(5)67)47-17-18-48(68)60-55(47)69/h1,7-8,11-16,30,35-36,38-39,47H,9-10,17-29,31-34,71H2,2-5H3,(H,60,68,69)
• InChIKey: QNLNUJUOAVJSLO-UHFFFAOYSA-N
• XLogP: 8.73
• TPSA: 124.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.19
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide?

The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide (CID 176968411) is N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide.

What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide?

The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide is C#Cc1c(F)ccc2cccc(-c3ncc4c(N5CCCC(C)C5)nc(OCC5(CN6CCC(CN7CCC(c8cccc(N(C(C)=O)C9CCC(=O)NC9=O)c8C(C)C)CC7)CC6)CC5)nc4c3P)c12.

What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide?

The InChIKey is QNLNUJUOAVJSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H68FN8O4P/c1-6-41-45(58)16-15-40-11-7-13-43(50(40)41)51-53(71)52-44(30-59-51)54(65-25-9-10-36(4)31-65)62-56(61-52)70-34-57(23-24-57)33-64-26-19-38(20-27-64)32-63-28-21-39(22-29-63)42-12-8-14-46(49(42)35(2)3)66(37(5)67)47-17-18-48(68)60-55(47)69/h1,7-8,11-16,30,35-36,38-39,47H,9-10,17-29,31-34,71H2,2-5H3,(H,60,68,69).

What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide?

N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide has a molecular weight of 979.19 g/mol, XLogP of 8.73, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dioxopiperidin-3-yl)-N-[3-[1-[[1-[[1-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-4-(3-methylpiperidin-1-yl)-8-phosphanylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 176968411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).