2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide

C80H88Cl2N20O12 — CID 176889847

About 2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide

2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide (PubChem CID 176889847) has the molecular formula C80H88Cl2N20O12 and a molecular weight of 1592.62 g/mol. Its IUPAC name is 2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide
• PubChem CID: 176889847
• Molecular Formula: C80H88Cl2N20O12
• Molecular Weight: 1592.62 g/mol
• Exact Mass: 1590.63
• IUPAC Name: 2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide
• SMILES: CNC(=O)C(Oc1cc2cc(Nc3nc(N4CC5(CC[C@@H](Oc6ccc7c(C8CCC(=O)NC8=O)nn(C)c7c6)[C@@H](C)C5)C4)ncc3Cl)cnc2n(C(C)C)c1=O)N(C)C(=O)COc1cc2cc(Nc3nc(N4CC5(CC[C@@H](Oc6ccc7c(C8CCC(=O)NC8=O)nn(C)c7c6)[C@@H](C)C5)C4)ncc3Cl)cnc2n(C(C)C)c1=O
• InChI: InChI=1S/C80H88Cl2N20O12/c1-40(2)101-69-44(23-46(31-84-69)88-67-54(81)33-86-77(92-67)99-36-79(37-99)21-19-58(42(5)29-79)112-48-11-13-50-56(27-48)97(9)94-65(50)52-15-17-62(103)90-71(52)106)25-60(74(101)109)111-35-64(105)96(8)76(73(108)83-7)114-61-26-45-24-47(32-85-70(45)102(41(3)4)75(61)110)89-68-55(82)34-87-78(93-68)100-38-80(39-100)22-20-59(43(6)30-80)113-49-12-14-51-57(28-49)98(10)95-66(51)53-16-18-63(104)91-72(53)107/h11-14,23-28,31-34,40-43,52-53,58-59,76H,15-22,29-30,35-39H2,1-10H3,(H,83,108)(H,86,88,92)(H,87,89,93)(H,90,103,106)(H,91,104,107)/t42-,43-,52?,53?,58+,59+,76?/m0/s1
• InChIKey: VMKYFWIANJKHCT-HVNXREABSA-N
• XLogP: 9.59
• TPSA: 366.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1592.62
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide?

The IUPAC name of 2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide (CID 176889847) is 2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide.

What is the SMILES notation for 2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide?

The canonical SMILES for 2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide is CNC(=O)C(Oc1cc2cc(Nc3nc(N4CC5(CC[C@@H](Oc6ccc7c(C8CCC(=O)NC8=O)nn(C)c7c6)[C@@H](C)C5)C4)ncc3Cl)cnc2n(C(C)C)c1=O)N(C)C(=O)COc1cc2cc(Nc3nc(N4CC5(CC[C@@H](Oc6ccc7c(C8CCC(=O)NC8=O)nn(C)c7c6)[C@@H](C)C5)C4)ncc3Cl)cnc2n(C(C)C)c1=O.

What is the InChIKey of 2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide?

The InChIKey is VMKYFWIANJKHCT-HVNXREABSA-N. The full InChI is InChI=1S/C80H88Cl2N20O12/c1-40(2)101-69-44(23-46(31-84-69)88-67-54(81)33-86-77(92-67)99-36-79(37-99)21-19-58(42(5)29-79)112-48-11-13-50-56(27-48)97(9)94-65(50)52-15-17-62(103)90-71(52)106)25-60(74(101)109)111-35-64(105)96(8)76(73(108)83-7)114-61-26-45-24-47(32-85-70(45)102(41(3)4)75(61)110)89-68-55(82)34-87-78(93-68)100-38-80(39-100)22-20-59(43(6)30-80)113-49-12-14-51-57(28-49)98(10)95-66(51)53-16-18-63(104)91-72(53)107/h11-14,23-28,31-34,40-43,52-53,58-59,76H,15-22,29-30,35-39H2,1-10H3,(H,83,108)(H,86,88,92)(H,87,89,93)(H,90,103,106)(H,91,104,107)/t42-,43-,52?,53?,58+,59+,76?/m0/s1.

What are the key properties of 2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide?

2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide has a molecular weight of 1592.62 g/mol, XLogP of 9.59, 21 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-2-[[2-[[6-[[5-chloro-2-[(6S,7R)-7-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxy-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]acetyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 176889847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).