2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione

C187H218F2N38O29 — CID 158632634

IUPAC2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(CCCCCCCNC(=O)CN4CCN(c5ccc(Cc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(CCCOCCOCCNC(=O)CN4CCN(c5ccc(Cc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.CC(=O)c1c(C)c2cnc(Cc3ccc(N4CCN(CC(=O)NCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCN(CCOCCOCCOCCCc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C48H57N9O8.C48H57N9O6.C47H54F2N10O7.C44H50N10O8/c1-30-13-16-39(45(60)52-30)57-46(61)37-12-6-8-33(43(37)48(57)63)9-7-22-64-24-25-65-23-17-49-41(59)29-54-18-20-55(21-19-54)36-15-14-34(50-27-36)26-40-51-28-38-31(2)42(32(3)58)47(62)56(44(38)53-40)35-10-4-5-11-35;1-30-17-20-39(45(60)52-30)57-46(61)37-16-11-13-33(43(37)48(57)63)12-7-5-4-6-10-21-49-41(59)29-54-22-24-55(25-23-54)36-19-18-34(50-27-36)26-40-51-28-38-31(2)42(32(3)58)47(62)56(44(38)53-40)35-14-8-9-15-35;1-29(2)58-30(3)52-43-35(48)24-33(25-38(43)58)42-36(49)27-51-47(55-42)53-39-11-9-31(26-50-39)28-57-15-13-56(14-16-57)17-19-65-21-23-66-22-20-64-18-5-7-32-6-4-8-34-41(32)46(63)59(45(34)62)37-10-12-40(60)54-44(37)61;1-26-32-24-48-35(49-40(32)53(29-6-3-4-7-29)43(60)38(26)27(2)55)22-28-10-11-30(23-47-28)52-18-16-51(17-19-52)25-37(57)46-15-21-62-20-14-45-33-9-5-8-31-39(33)44(61)54(42(31)59)34-12-13-36(56)50-41(34)58/h6,8,12,14-15,27-28,35,39H,1,4-5,7,9-11,13,16-26,29H2,2-3H3,(H,49,59)(H,52,60);11,13,16,18-19,27-28,35,39H,1,4-10,12,14-15,17,20-26,29H2,2-3H3,(H,49,59)(H,52,60);4,6,8-9,11,24-27,29,37H,5,7,10,12-23,28H2,1-3H3,(H,54,60,61)(H,50,51,53,55);5,8-11,23-24,29,34,45H,3-4,6-7,12-22,25H2,1-2H3,(H,46,57)(H,50,56,58)
InChIKeyHZJPDRAARBQSRV-UHFFFAOYSA-N
MW3500.03 g/mol
LogP16.09
Rot. Bonds69

About 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione

2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione (PubChem CID 158632634) has the molecular formula C187H218F2N38O29 and a molecular weight of 3500.03 g/mol. Its IUPAC name is 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione
PubChem CID158632634
Molecular FormulaC187H218F2N38O29
Molecular Weight3500.03 g/mol
Exact Mass3497.67
IUPAC Name2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(CCCCCCCNC(=O)CN4CCN(c5ccc(Cc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(CCCOCCOCCNC(=O)CN4CCN(c5ccc(Cc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.CC(=O)c1c(C)c2cnc(Cc3ccc(N4CCN(CC(=O)NCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCN(CCOCCOCCOCCCc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C48H57N9O8.C48H57N9O6.C47H54F2N10O7.C44H50N10O8/c1-30-13-16-39(45(60)52-30)57-46(61)37-12-6-8-33(43(37)48(57)63)9-7-22-64-24-25-65-23-17-49-41(59)29-54-18-20-55(21-19-54)36-15-14-34(50-27-36)26-40-51-28-38-31(2)42(32(3)58)47(62)56(44(38)53-40)35-10-4-5-11-35;1-30-17-20-39(45(60)52-30)57-46(61)37-16-11-13-33(43(37)48(57)63)12-7-5-4-6-10-21-49-41(59)29-54-22-24-55(25-23-54)36-19-18-34(50-27-36)26-40-51-28-38-31(2)42(32(3)58)47(62)56(44(38)53-40)35-14-8-9-15-35;1-29(2)58-30(3)52-43-35(48)24-33(25-38(43)58)42-36(49)27-51-47(55-42)53-39-11-9-31(26-50-39)28-57-15-13-56(14-16-57)17-19-65-21-23-66-22-20-64-18-5-7-32-6-4-8-34-41(32)46(63)59(45(34)62)37-10-12-40(60)54-44(37)61;1-26-32-24-48-35(49-40(32)53(29-6-3-4-7-29)43(60)38(26)27(2)55)22-28-10-11-30(23-47-28)52-18-16-51(17-19-52)25-37(57)46-15-21-62-20-14-45-33-9-5-8-31-39(33)44(61)54(42(31)59)34-12-13-36(56)50-41(34)58/h6,8,12,14-15,27-28,35,39H,1,4-5,7,9-11,13,16-26,29H2,2-3H3,(H,49,59)(H,52,60);11,13,16,18-19,27-28,35,39H,1,4-10,12,14-15,17,20-26,29H2,2-3H3,(H,49,59)(H,52,60);4,6,8-9,11,24-27,29,37H,5,7,10,12-23,28H2,1-3H3,(H,54,60,61)(H,50,51,53,55);5,8-11,23-24,29,34,45H,3-4,6-7,12-22,25H2,1-2H3,(H,46,57)(H,50,56,58)
InChIKeyHZJPDRAARBQSRV-UHFFFAOYSA-N
XLogP16.09
TPSA782.43 Ų
H-Bond Donors9
H-Bond Acceptors56
Rotatable Bonds69
Heavy Atoms256
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003500.03
LogP ≤ 516.09
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione (CID 158632634) is 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(CCCCCCCNC(=O)CN4CCN(c5ccc(Cc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(CCCOCCOCCNC(=O)CN4CCN(c5ccc(Cc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.CC(=O)c1c(C)c2cnc(Cc3ccc(N4CCN(CC(=O)NCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCN(CCOCCOCCOCCCc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione?
The InChIKey is HZJPDRAARBQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H57N9O8.C48H57N9O6.C47H54F2N10O7.C44H50N10O8/c1-30-13-16-39(45(60)52-30)57-46(61)37-12-6-8-33(43(37)48(57)63)9-7-22-64-24-25-65-23-17-49-41(59)29-54-18-20-55(21-19-54)36-15-14-34(50-27-36)26-40-51-28-38-31(2)42(32(3)58)47(62)56(44(38)53-40)35-10-4-5-11-35;1-30-17-20-39(45(60)52-30)57-46(61)37-16-11-13-33(43(37)48(57)63)12-7-5-4-6-10-21-49-41(59)29-54-22-24-55(25-23-54)36-19-18-34(50-27-36)26-40-51-28-38-31(2)42(32(3)58)47(62)56(44(38)53-40)35-14-8-9-15-35;1-29(2)58-30(3)52-43-35(48)24-33(25-38(43)58)42-36(49)27-51-47(55-42)53-39-11-9-31(26-50-39)28-57-15-13-56(14-16-57)17-19-65-21-23-66-22-20-64-18-5-7-32-6-4-8-34-41(32)46(63)59(45(34)62)37-10-12-40(60)54-44(37)61;1-26-32-24-48-35(49-40(32)53(29-6-3-4-7-29)43(60)38(26)27(2)55)22-28-10-11-30(23-47-28)52-18-16-51(17-19-52)25-37(57)46-15-21-62-20-14-45-33-9-5-8-31-39(33)44(61)54(42(31)59)34-12-13-36(56)50-41(34)58/h6,8,12,14-15,27-28,35,39H,1,4-5,7,9-11,13,16-26,29H2,2-3H3,(H,49,59)(H,52,60);11,13,16,18-19,27-28,35,39H,1,4-10,12,14-15,17,20-26,29H2,2-3H3,(H,49,59)(H,52,60);4,6,8-9,11,24-27,29,37H,5,7,10,12-23,28H2,1-3H3,(H,54,60,61)(H,50,51,53,55);5,8-11,23-24,29,34,45H,3-4,6-7,12-22,25H2,1-2H3,(H,46,57)(H,50,56,58).
What are the key properties of 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione?
2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione has a molecular weight of 3500.03 g/mol, XLogP of 16.09, 69 rotatable bonds, 9 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[7-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptyl]acetamide;2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-N-[2-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]acetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-[2-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propyl]isoindole-1,3-dione is sourced from PubChem (CID 158632634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).