About 4-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide
4-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide (PubChem CID 165100515) has the molecular formula C162H210Cl2F2N38O26S2
and a molecular weight of 3278.74 g/mol. Its IUPAC name is 4-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide.
Frequently Asked Questions
What is the IUPAC name of 4-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide?
The IUPAC name of 4-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide (CID 165100515) is 4-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide.
What is the SMILES notation for 4-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide?
The canonical SMILES for 4-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide is Cn1ncc(-c2nc(NC3CCC(NCC(=O)CCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCC(=O)CCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccc2F)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCC(=O)NCCCCNCC(=O)NCc4scc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCC(=O)NCCCCNCC(=O)NCc4scc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)ncc2F)c1CC1CC1.
What is the InChIKey of 4-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide?
The InChIKey is YFYKCFFLSWVPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H55ClN8O8.C43H55FN8O8.C38H50ClN11O5S.C38H50FN11O5S/c2*1-51-36(24-27-7-8-27)32(26-47-51)40-33(44)13-15-37(49-40)48-29-11-9-28(10-12-29)46-25-30(53)4-3-18-58-20-22-60-23-21-59-19-17-45-34-6-2-5-31-39(34)43(57)52(42(31)56)35-14-16-38(54)50-41(35)55;2*1-49-30(14-22-4-5-22)25(15-45-49)35-28(39)16-44-38(48-35)46-24-8-6-23(7-9-24)42-19-34(53)41-13-3-2-12-40-18-33(52)43-17-31-26-20-50(37(55)27(26)21-56-31)29-10-11-32(51)47-36(29)54/h2*2,5-6,13,15,26-29,35,45-46H,3-4,7-12,14,16-25H2,1H3,(H,48,49)(H,50,54,55);2*15-16,21-24,29,40,42H,2-14,17-20H2,1H3,(H,41,53)(H,43,52)(H,44,46,48)(H,47,51,54).
What are the key properties of 4-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide?
4-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide has a molecular weight of 3278.74 g/mol, XLogP of 12.44, 82 rotatable bonds, 20 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide is sourced from PubChem (CID 165100515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).