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

C76H82Cl2N22O10 — CID 176889849

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

2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N'-[2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]acetyl]-N'-methylpropanehydrazide (PubChem CID 176889849) has the molecular formula C76H82Cl2N22O10 and a molecular weight of 1534.54 g/mol. Its IUPAC name is 2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N'-[2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]acetyl]-N'-methylpropanehydrazide.

Molecular Properties

• Compound Name: 2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N'-[2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]acetyl]-N'-methylpropanehydrazide
• PubChem CID: 176889849
• Molecular Formula: C76H82Cl2N22O10
• Molecular Weight: 1534.54 g/mol
• Exact Mass: 1532.60
• IUPAC Name: 2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N'-[2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]acetyl]-N'-methylpropanehydrazide
• SMILES: CC(Oc1cc2cc(Nc3nc(N4CC5(CC[C@H](Nc6ccc7c(C8CCC(=O)NC8=O)nn(C)c7c6)[C@@H](C)C5)C4)ncc3Cl)cnc2n(C)c1=O)C(=O)NN(C)C(=O)COc1cc2cc(Nc3nc(N4CC5(CC[C@H](Nc6ccc7c(C8CCC(=O)NC8=O)nn(C)c7c6)[C@@H](C)C5)C4)ncc3Cl)cnc2n(C)c1=O
• InChI: InChI=1S/C76H82Cl2N22O10/c1-38-27-75(19-17-53(38)83-43-9-11-47-55(25-43)96(6)91-62(47)49-13-15-59(101)87-69(49)105)34-99(35-75)73-81-31-51(77)64(89-73)85-45-21-41-23-57(71(107)94(4)66(41)79-29-45)109-33-61(103)98(8)93-68(104)40(3)110-58-24-42-22-46(30-80-67(42)95(5)72(58)108)86-65-52(78)32-82-74(90-65)100-36-76(37-100)20-18-54(39(2)28-76)84-44-10-12-48-56(26-44)97(7)92-63(48)50-14-16-60(102)88-70(50)106/h9-12,21-26,29-32,38-40,49-50,53-54,83-84H,13-20,27-28,33-37H2,1-8H3,(H,93,104)(H,81,85,89)(H,82,86,90)(H,87,101,105)(H,88,102,106)/t38-,39-,40?,49?,50?,53-,54-/m0/s1
• InChIKey: XSQBGVJVZJWSPC-QTHYJDMPSA-N
• XLogP: 7.92
• TPSA: 371.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1534.54
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N'-[2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]acetyl]-N'-methylpropanehydrazide (CID 176889849) is 2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N'-[2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]acetyl]-N'-methylpropanehydrazide.

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

The canonical SMILES for 2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N'-[2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]acetyl]-N'-methylpropanehydrazide is CC(Oc1cc2cc(Nc3nc(N4CC5(CC[C@H](Nc6ccc7c(C8CCC(=O)NC8=O)nn(C)c7c6)[C@@H](C)C5)C4)ncc3Cl)cnc2n(C)c1=O)C(=O)NN(C)C(=O)COc1cc2cc(Nc3nc(N4CC5(CC[C@H](Nc6ccc7c(C8CCC(=O)NC8=O)nn(C)c7c6)[C@@H](C)C5)C4)ncc3Cl)cnc2n(C)c1=O.

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

The InChIKey is XSQBGVJVZJWSPC-QTHYJDMPSA-N. The full InChI is InChI=1S/C76H82Cl2N22O10/c1-38-27-75(19-17-53(38)83-43-9-11-47-55(25-43)96(6)91-62(47)49-13-15-59(101)87-69(49)105)34-99(35-75)73-81-31-51(77)64(89-73)85-45-21-41-23-57(71(107)94(4)66(41)79-29-45)109-33-61(103)98(8)93-68(104)40(3)110-58-24-42-22-46(30-80-67(42)95(5)72(58)108)86-65-52(78)32-82-74(90-65)100-36-76(37-100)20-18-54(39(2)28-76)84-44-10-12-48-56(26-44)97(7)92-63(48)50-14-16-60(102)88-70(50)106/h9-12,21-26,29-32,38-40,49-50,53-54,83-84H,13-20,27-28,33-37H2,1-8H3,(H,93,104)(H,81,85,89)(H,82,86,90)(H,87,101,105)(H,88,102,106)/t38-,39-,40?,49?,50?,53-,54-/m0/s1.

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

2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N'-[2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]acetyl]-N'-methylpropanehydrazide has a molecular weight of 1534.54 g/mol, XLogP of 7.92, 18 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]-N'-[2-[[6-[[5-chloro-2-[(6S,7S)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-6-methyl-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-1,8-naphthyridin-3-yl]oxy]acetyl]-N'-methylpropanehydrazide is sourced from PubChem (CID 176889849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).