4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C134H174Cl3FN24O18 — CID 157210387

About 4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 157210387) has the molecular formula C134H174Cl3FN24O18 and a molecular weight of 2534.37 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 157210387
• Molecular Formula: C134H174Cl3FN24O18
• Molecular Weight: 2534.37 g/mol
• Exact Mass: 2531.25
• IUPAC Name: 4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: Cn1ccc(-c2nc(NC3CCC(NCCCCCCCN4CCC(c5cc(F)cc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCCOCCOCCOCCNCc4ccc(COc5cccc6c5CN([C@H]5CCC(=O)NC5=O)C6=O)cc4)CC3)ccc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCCOCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccc2Cl)c1CC1CC1
• InChI: InChI=1S/C48H61ClN8O7.C44H58ClFN8O3.C42H55ClN8O8/c1-56-42(27-32-5-6-32)38(29-52-56)46-40(49)15-17-44(54-46)53-36-13-11-35(12-14-36)51-20-22-62-24-26-63-25-23-61-21-19-50-28-33-7-9-34(10-8-33)31-64-43-4-2-3-37-39(43)30-57(48(37)60)41-16-18-45(58)55-47(41)59;1-52-20-17-33(39(52)23-28-7-8-28)41-37(45)26-48-44(51-41)49-32-11-9-31(10-12-32)47-18-5-3-2-4-6-19-53-21-15-29(16-22-53)34-24-30(46)25-35-36(34)27-54(43(35)57)38-13-14-40(55)50-42(38)56;1-50-35(25-27-5-6-27)31(26-46-50)39-32(43)11-13-36(48-39)47-29-9-7-28(8-10-29)44-15-17-56-19-21-58-23-24-59-22-20-57-18-16-45-33-4-2-3-30-38(33)42(55)51(41(30)54)34-12-14-37(52)49-40(34)53/h2-4,7-10,15,17,29,32,35-36,41,50-51H,5-6,11-14,16,18-28,30-31H2,1H3,(H,53,54)(H,55,58,59);17,20,24-26,28-29,31-32,38,47H,2-16,18-19,21-23,27H2,1H3,(H,48,49,51)(H,50,55,56);2-4,11,13,26-29,34,44-45H,5-10,12,14-25H2,1H3,(H,47,48)(H,49,52,53)/t35?,36?,41-;;/m0../s1
• InChIKey: ARVBOARNZNNTKU-ROCTYVAMSA-N
• XLogP: 16.69
• TPSA: 481.96 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 63
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2534.37
LogP ≤ 5	16.69
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 157210387) is 4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cn1ccc(-c2nc(NC3CCC(NCCCCCCCN4CCC(c5cc(F)cc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCCOCCOCCOCCNCc4ccc(COc5cccc6c5CN([C@H]5CCC(=O)NC5=O)C6=O)cc4)CC3)ccc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCCOCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccc2Cl)c1CC1CC1.

What is the InChIKey of 4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is ARVBOARNZNNTKU-ROCTYVAMSA-N. The full InChI is InChI=1S/C48H61ClN8O7.C44H58ClFN8O3.C42H55ClN8O8/c1-56-42(27-32-5-6-32)38(29-52-56)46-40(49)15-17-44(54-46)53-36-13-11-35(12-14-36)51-20-22-62-24-26-63-25-23-61-21-19-50-28-33-7-9-34(10-8-33)31-64-43-4-2-3-37-39(43)30-57(48(37)60)41-16-18-45(58)55-47(41)59;1-52-20-17-33(39(52)23-28-7-8-28)41-37(45)26-48-44(51-41)49-32-11-9-31(10-12-32)47-18-5-3-2-4-6-19-53-21-15-29(16-22-53)34-24-30(46)25-35-36(34)27-54(43(35)57)38-13-14-40(55)50-42(38)56;1-50-35(25-27-5-6-27)31(26-46-50)39-32(43)11-13-36(48-39)47-29-9-7-28(8-10-29)44-15-17-56-19-21-58-23-24-59-22-20-57-18-16-45-33-4-2-3-30-38(33)42(55)51(41(30)54)34-12-14-37(52)49-40(34)53/h2-4,7-10,15,17,29,32,35-36,41,50-51H,5-6,11-14,16,18-28,30-31H2,1H3,(H,53,54)(H,55,58,59);17,20,24-26,28-29,31-32,38,47H,2-16,18-19,21-23,27H2,1H3,(H,48,49,51)(H,50,55,56);2-4,11,13,26-29,34,44-45H,5-10,12,14-25H2,1H3,(H,47,48)(H,49,52,53)/t35?,36?,41-;;/m0../s1.

What are the key properties of 4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2534.37 g/mol, XLogP of 16.69, 63 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(3S)-3-[7-[[4-[[2-[2-[2-[2-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[1-[7-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 157210387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).