2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide

C82H94Cl2N22O10 — CID 176889871

About 2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide

2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide (PubChem CID 176889871) has the molecular formula C82H94Cl2N22O10 and a molecular weight of 1618.70 g/mol. Its IUPAC name is 2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide.

Molecular Properties

• Compound Name: 2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide
• PubChem CID: 176889871
• Molecular Formula: C82H94Cl2N22O10
• Molecular Weight: 1618.70 g/mol
• Exact Mass: 1616.69
• IUPAC Name: 2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide
• SMILES: CC(Oc1cc2cc(Nc3nc(N4CCN([C@H](C)C5CCN(c6cccc7c(C8CCC(=O)NC8=O)nn(C)c67)CC5)CC4)ncc3Cl)ccc2n(C)c1=O)C(=O)NN(C)C(=O)COc1cc2cc(Nc3nc(N4CCN([C@H](C)C5CCN(c6cccc7c(C8CCC(=O)NC8=O)nn(C)c67)CC5)CC4)ncc3Cl)ccc2n(C)c1=O
• InChI: InChI=1S/C82H94Cl2N22O10/c1-46(49-23-27-103(28-24-49)63-13-9-11-55-70(93-99(7)72(55)63)57-17-21-67(107)89-77(57)111)101-31-35-105(36-32-101)81-85-43-59(83)74(91-81)87-53-15-19-61-51(39-53)41-65(79(113)96(61)4)115-45-69(109)98(6)95-76(110)48(3)116-66-42-52-40-54(16-20-62(52)97(5)80(66)114)88-75-60(84)44-86-82(92-75)106-37-33-102(34-38-106)47(2)50-25-29-104(30-26-50)64-14-10-12-56-71(94-100(8)73(56)64)58-18-22-68(108)90-78(58)112/h9-16,19-20,39-44,46-50,57-58H,17-18,21-38,45H2,1-8H3,(H,95,110)(H,85,87,91)(H,86,88,92)(H,89,107,111)(H,90,108,112)/t46-,47-,48?,57?,58?/m1/s1
• InChIKey: GIMAASSMKUQRPN-BLQPQRHXSA-N
• XLogP: 7.77
• TPSA: 334.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1618.70
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	5
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-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide?

The IUPAC name of 2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide (CID 176889871) is 2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide.

What is the SMILES notation for 2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide?

The canonical SMILES for 2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide is CC(Oc1cc2cc(Nc3nc(N4CCN([C@H](C)C5CCN(c6cccc7c(C8CCC(=O)NC8=O)nn(C)c67)CC5)CC4)ncc3Cl)ccc2n(C)c1=O)C(=O)NN(C)C(=O)COc1cc2cc(Nc3nc(N4CCN([C@H](C)C5CCN(c6cccc7c(C8CCC(=O)NC8=O)nn(C)c67)CC5)CC4)ncc3Cl)ccc2n(C)c1=O.

What is the InChIKey of 2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide?

The InChIKey is GIMAASSMKUQRPN-BLQPQRHXSA-N. The full InChI is InChI=1S/C82H94Cl2N22O10/c1-46(49-23-27-103(28-24-49)63-13-9-11-55-70(93-99(7)72(55)63)57-17-21-67(107)89-77(57)111)101-31-35-105(36-32-101)81-85-43-59(83)74(91-81)87-53-15-19-61-51(39-53)41-65(79(113)96(61)4)115-45-69(109)98(6)95-76(110)48(3)116-66-42-52-40-54(16-20-62(52)97(5)80(66)114)88-75-60(84)44-86-82(92-75)106-37-33-102(34-38-106)47(2)50-25-29-104(30-26-50)64-14-10-12-56-71(94-100(8)73(56)64)58-18-22-68(108)90-78(58)112/h9-16,19-20,39-44,46-50,57-58H,17-18,21-38,45H2,1-8H3,(H,95,110)(H,85,87,91)(H,86,88,92)(H,89,107,111)(H,90,108,112)/t46-,47-,48?,57?,58?/m1/s1.

What are the key properties of 2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide?

2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide has a molecular weight of 1618.70 g/mol, XLogP of 7.77, 20 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-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N'-[2-[6-[[5-chloro-2-[4-[(1R)-1-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetyl]-N'-methylpropanehydrazide is sourced from PubChem (CID 176889871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).