2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide

C194H257Cl3FN53O31S5 — CID 165106847

IUPAC2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide
SMILESCc1cnc(NC2CCC(NCC(=O)NCCNCC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cn1ccc(-c2nc(NC3CCC(NCC(=O)NCCNC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(NCC(=O)NCCOCCOCCOCCNCC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NC(=O)NCCCCNCC(=O)NCc4scc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)ncc2F)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCC(=O)NCCOCCOCCOCCNC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2Cl)c1CC1CC1
InChIInChI=1S/C43H59ClN10O8S.C41H56ClN11O8S.C37H48FN11O5S.C37H49N11O5S.C36H45ClN10O5S/c1-53-35(18-27-2-3-27)32(22-50-53)40-33(44)23-48-36(51-40)19-28-4-6-30(7-5-28)47-25-39(57)46-11-13-61-15-17-62-16-14-60-12-10-45-24-38(56)49-21-31-20-29-26-54(43(59)41(29)63-31)34-8-9-37(55)52-42(34)58;1-52-33(18-25-2-3-25)30(21-48-52)36-31(42)22-46-40(51-36)49-28-6-4-27(5-7-28)45-23-35(55)43-10-12-59-14-16-61-17-15-60-13-11-44-41(58)47-20-29-19-26-24-53(39(57)37(26)62-29)32-8-9-34(54)50-38(32)56;1-48-29(14-21-4-5-21)24(15-43-48)33-27(38)16-42-36(47-33)44-22-6-8-23(9-7-22)45-37(54)40-13-3-2-12-39-18-32(51)41-17-30-25-19-49(35(53)26(25)20-55-30)28-10-11-31(50)46-34(28)52;1-21-15-42-37(46-33(21)27-17-43-47(2)29(27)13-22-3-4-22)44-25-7-5-24(6-8-25)40-19-32(51)39-12-11-38-18-31(50)41-16-26-14-23-20-48(36(53)34(23)54-26)28-9-10-30(49)45-35(28)52;1-46-13-10-25(28(46)14-20-2-3-20)31-26(37)17-41-35(45-31)43-23-6-4-22(5-7-23)40-18-30(49)38-11-12-39-36(52)42-16-24-15-21-19-47(34(51)32(21)53-24)27-8-9-29(48)44-33(27)50/h20,22-23,27-28,30,34,45,47H,2-19,21,24-26H2,1H3,(H,46,57)(H,49,56)(H,52,55,58);19,21-22,25,27-28,32,45H,2-18,20,23-24H2,1H3,(H,43,55)(H2,44,47,58)(H,46,49,51)(H,50,54,56);15-16,20-23,28,39H,2-14,17-19H2,1H3,(H,41,51)(H2,40,45,54)(H,42,44,47)(H,46,50,52);14-15,17,22,24-25,28,38,40H,3-13,16,18-20H2,1-2H3,(H,39,51)(H,41,50)(H,42,44,46)(H,45,49,52);10,13,15,17,20,22-23,27,40H,2-9,11-12,14,16,18-19H2,1H3,(H,38,49)(H2,39,42,52)(H,41,43,45)(H,44,48,50)
InChIKeyZHBMIQRAYRMMOA-UHFFFAOYSA-N
MW4113.22 g/mol
LogP10.99
Rot. Bonds94

About 2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide

2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide (PubChem CID 165106847) has the molecular formula C194H257Cl3FN53O31S5 and a molecular weight of 4113.22 g/mol. Its IUPAC name is 2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide
PubChem CID165106847
Molecular FormulaC194H257Cl3FN53O31S5
Molecular Weight4113.22 g/mol
Exact Mass4108.78
IUPAC Name2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide
SMILESCc1cnc(NC2CCC(NCC(=O)NCCNCC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cn1ccc(-c2nc(NC3CCC(NCC(=O)NCCNC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(NCC(=O)NCCOCCOCCOCCNCC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NC(=O)NCCCCNCC(=O)NCc4scc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)ncc2F)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCC(=O)NCCOCCOCCOCCNC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2Cl)c1CC1CC1
InChIInChI=1S/C43H59ClN10O8S.C41H56ClN11O8S.C37H48FN11O5S.C37H49N11O5S.C36H45ClN10O5S/c1-53-35(18-27-2-3-27)32(22-50-53)40-33(44)23-48-36(51-40)19-28-4-6-30(7-5-28)47-25-39(57)46-11-13-61-15-17-62-16-14-60-12-10-45-24-38(56)49-21-31-20-29-26-54(43(59)41(29)63-31)34-8-9-37(55)52-42(34)58;1-52-33(18-25-2-3-25)30(21-48-52)36-31(42)22-46-40(51-36)49-28-6-4-27(5-7-28)45-23-35(55)43-10-12-59-14-16-61-17-15-60-13-11-44-41(58)47-20-29-19-26-24-53(39(57)37(26)62-29)32-8-9-34(54)50-38(32)56;1-48-29(14-21-4-5-21)24(15-43-48)33-27(38)16-42-36(47-33)44-22-6-8-23(9-7-22)45-37(54)40-13-3-2-12-39-18-32(51)41-17-30-25-19-49(35(53)26(25)20-55-30)28-10-11-31(50)46-34(28)52;1-21-15-42-37(46-33(21)27-17-43-47(2)29(27)13-22-3-4-22)44-25-7-5-24(6-8-25)40-19-32(51)39-12-11-38-18-31(50)41-16-26-14-23-20-48(36(53)34(23)54-26)28-9-10-30(49)45-35(28)52;1-46-13-10-25(28(46)14-20-2-3-20)31-26(37)17-41-35(45-31)43-23-6-4-22(5-7-23)40-18-30(49)38-11-12-39-36(52)42-16-24-15-21-19-47(34(51)32(21)53-24)27-8-9-29(48)44-33(27)50/h20,22-23,27-28,30,34,45,47H,2-19,21,24-26H2,1H3,(H,46,57)(H,49,56)(H,52,55,58);19,21-22,25,27-28,32,45H,2-18,20,23-24H2,1H3,(H,43,55)(H2,44,47,58)(H,46,49,51)(H,50,54,56);15-16,20-23,28,39H,2-14,17-19H2,1H3,(H,41,51)(H2,40,45,54)(H,42,44,47)(H,46,50,52);14-15,17,22,24-25,28,38,40H,3-13,16,18-20H2,1-2H3,(H,39,51)(H,41,50)(H,42,44,46)(H,45,49,52);10,13,15,17,20,22-23,27,40H,2-9,11-12,14,16,18-19H2,1H3,(H,38,49)(H2,39,42,52)(H,41,43,45)(H,44,48,50)
InChIKeyZHBMIQRAYRMMOA-UHFFFAOYSA-N
XLogP10.99
TPSA1052.31 Ų
H-Bond Donors29
H-Bond Acceptors66
Rotatable Bonds94
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004113.22
LogP ≤ 510.99
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1066

Computed Properties (RDKit)

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

Analyze 2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide with MolForge

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What is the IUPAC name of 2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide?
The IUPAC name of 2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide (CID 165106847) is 2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide?
The canonical SMILES for 2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide is Cc1cnc(NC2CCC(NCC(=O)NCCNCC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cn1ccc(-c2nc(NC3CCC(NCC(=O)NCCNC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(NCC(=O)NCCOCCOCCOCCNCC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NC(=O)NCCCCNCC(=O)NCc4scc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)ncc2F)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCC(=O)NCCOCCOCCOCCNC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2Cl)c1CC1CC1.
What is the InChIKey of 2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide?
The InChIKey is ZHBMIQRAYRMMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H59ClN10O8S.C41H56ClN11O8S.C37H48FN11O5S.C37H49N11O5S.C36H45ClN10O5S/c1-53-35(18-27-2-3-27)32(22-50-53)40-33(44)23-48-36(51-40)19-28-4-6-30(7-5-28)47-25-39(57)46-11-13-61-15-17-62-16-14-60-12-10-45-24-38(56)49-21-31-20-29-26-54(43(59)41(29)63-31)34-8-9-37(55)52-42(34)58;1-52-33(18-25-2-3-25)30(21-48-52)36-31(42)22-46-40(51-36)49-28-6-4-27(5-7-28)45-23-35(55)43-10-12-59-14-16-61-17-15-60-13-11-44-41(58)47-20-29-19-26-24-53(39(57)37(26)62-29)32-8-9-34(54)50-38(32)56;1-48-29(14-21-4-5-21)24(15-43-48)33-27(38)16-42-36(47-33)44-22-6-8-23(9-7-22)45-37(54)40-13-3-2-12-39-18-32(51)41-17-30-25-19-49(35(53)26(25)20-55-30)28-10-11-31(50)46-34(28)52;1-21-15-42-37(46-33(21)27-17-43-47(2)29(27)13-22-3-4-22)44-25-7-5-24(6-8-25)40-19-32(51)39-12-11-38-18-31(50)41-16-26-14-23-20-48(36(53)34(23)54-26)28-9-10-30(49)45-35(28)52;1-46-13-10-25(28(46)14-20-2-3-20)31-26(37)17-41-35(45-31)43-23-6-4-22(5-7-23)40-18-30(49)38-11-12-39-36(52)42-16-24-15-21-19-47(34(51)32(21)53-24)27-8-9-29(48)44-33(27)50/h20,22-23,27-28,30,34,45,47H,2-19,21,24-26H2,1H3,(H,46,57)(H,49,56)(H,52,55,58);19,21-22,25,27-28,32,45H,2-18,20,23-24H2,1H3,(H,43,55)(H2,44,47,58)(H,46,49,51)(H,50,54,56);15-16,20-23,28,39H,2-14,17-19H2,1H3,(H,41,51)(H2,40,45,54)(H,42,44,47)(H,46,50,52);14-15,17,22,24-25,28,38,40H,3-13,16,18-20H2,1-2H3,(H,39,51)(H,41,50)(H,42,44,46)(H,45,49,52);10,13,15,17,20,22-23,27,40H,2-9,11-12,14,16,18-19H2,1H3,(H,38,49)(H2,39,42,52)(H,41,43,45)(H,44,48,50).
What are the key properties of 2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide?
2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide has a molecular weight of 4113.22 g/mol, XLogP of 10.99, 94 rotatable bonds, 29 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[2-[2-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-[2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;2-[[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]acetamide;2-[4-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]carbamoylamino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[2-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide is sourced from PubChem (CID 165106847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).