2-[[6-[[5-chloro-2-[(6S,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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 176889845

About 2-[[6-[[5-chloro-2-[(6S,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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 176889845) has the molecular formula C76H82Cl2N22O10 and a molecular weight of 1534.54 g/mol. Its IUPAC name is 2-[[6-[[5-chloro-2-[(6S,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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: 176889845
• Molecular Formula: C76H82Cl2N22O10
• Molecular Weight: 1534.54 g/mol
• Exact Mass: 1532.60
• IUPAC Name: 2-[[6-[[5-chloro-2-[(6S,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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](Nc6cccc7c(C8CCC(=O)NC8=O)nn(C)c67)[C@@H](C)C5)C4)ncc3Cl)cnc2n(C)c1=O)C(=O)NN(C)C(=O)COc1cc2cc(Nc3nc(N4CC5(CC[C@@H](Nc6cccc7c(C8CCC(=O)NC8=O)nn(C)c67)[C@@H](C)C5)C4)ncc3Cl)cnc2n(C)c1=O
• InChI: InChI=1S/C76H82Cl2N22O10/c1-38-27-75(21-19-51(38)85-53-13-9-11-45-60(91-97(7)62(45)53)47-15-17-57(101)87-69(47)105)34-99(35-75)73-81-31-49(77)64(89-73)83-43-23-41-25-55(71(107)94(4)66(41)79-29-43)109-33-59(103)96(6)93-68(104)40(3)110-56-26-42-24-44(30-80-67(42)95(5)72(56)108)84-65-50(78)32-82-74(90-65)100-36-76(37-100)22-20-52(39(2)28-76)86-54-14-10-12-46-61(92-98(8)63(46)54)48-16-18-58(102)88-70(48)106/h9-14,23-26,29-32,38-40,47-48,51-52,85-86H,15-22,27-28,33-37H2,1-8H3,(H,93,104)(H,81,83,89)(H,82,84,90)(H,87,101,105)(H,88,102,106)/t38-,39-,40?,47?,48?,51+,52+/m0/s1
• InChIKey: XUGFINKJYHVDOG-LDCFOQTPSA-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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 176889845) is 2-[[6-[[5-chloro-2-[(6S,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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](Nc6cccc7c(C8CCC(=O)NC8=O)nn(C)c67)[C@@H](C)C5)C4)ncc3Cl)cnc2n(C)c1=O)C(=O)NN(C)C(=O)COc1cc2cc(Nc3nc(N4CC5(CC[C@@H](Nc6cccc7c(C8CCC(=O)NC8=O)nn(C)c67)[C@@H](C)C5)C4)ncc3Cl)cnc2n(C)c1=O.

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

What are the key properties of 2-[[6-[[5-chloro-2-[(6S,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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,7R)-7-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-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 176889845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).