N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

C189H226N40O33 — CID 158914738

IUPACN-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCC(=O)CCCCCN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCC(=O)CCCOCCOCCN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCCC(=O)CN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCOCCNC(=O)CCc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C49H60N10O9.C48H58N10O10.C47H56N10O8.C45H52N10O6/c1-31-13-15-40(45(62)53-31)59-46(63)37-11-6-12-39(43(37)48(59)65)50-17-23-67-25-27-68-26-24-66-22-7-10-36(61)30-56-18-20-57(21-19-56)35-14-16-41(51-28-35)54-49-52-29-38-32(2)42(33(3)60)47(64)58(44(38)55-49)34-8-4-5-9-34;1-30-36-29-51-48(54-43(36)57(33-7-3-4-8-33)46(64)41(30)31(2)59)52-38-13-11-34(28-50-38)56-19-17-55(18-20-56)21-23-67-25-27-68-26-24-66-22-16-49-39(60)14-10-32-6-5-9-35-42(32)47(65)58(45(35)63)37-12-15-40(61)53-44(37)62;1-29-13-15-38(43(60)51-29)57-44(61)35-11-6-12-37(41(35)46(57)63)48-27-34(59)10-7-22-64-24-25-65-23-21-54-17-19-55(20-18-54)33-14-16-39(49-26-33)52-47-50-28-36-30(2)40(31(3)58)45(62)56(42(36)53-47)32-8-4-5-9-32;1-27-15-17-36(41(58)49-27)55-42(59)33-13-9-14-35(39(33)44(55)61)46-25-32(57)12-5-4-8-19-52-20-22-53(23-21-52)31-16-18-37(47-24-31)50-45-48-26-34-28(2)38(29(3)56)43(60)54(40(34)51-45)30-10-6-7-11-30/h6,11-12,14,16,28-29,34,40,50H,1,4-5,7-10,13,15,17-27,30H2,2-3H3,(H,53,62)(H,51,52,54,55);5-6,9,11,13,28-29,33,37H,3-4,7-8,10,12,14-27H2,1-2H3,(H,49,60)(H,53,61,62)(H,50,51,52,54);6,11-12,14,16,26,28,32,38,48H,1,4-5,7-10,13,15,17-25,27H2,2-3H3,(H,51,60)(H,49,50,52,53);9,13-14,16,18,24,26,30,36,46H,1,4-8,10-12,15,17,19-23,25H2,2-3H3,(H,49,58)(H,47,48,50,51)
InChIKeyJHCAMKAWCNEXJY-UHFFFAOYSA-N
MW3586.13 g/mol
LogP17.33
Rot. Bonds77

About N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 158914738) has the molecular formula C189H226N40O33 and a molecular weight of 3586.13 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID158914738
Molecular FormulaC189H226N40O33
Molecular Weight3586.13 g/mol
Exact Mass3583.72
IUPAC NameN-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCC(=O)CCCCCN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCC(=O)CCCOCCOCCN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCCC(=O)CN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCOCCNC(=O)CCc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C49H60N10O9.C48H58N10O10.C47H56N10O8.C45H52N10O6/c1-31-13-15-40(45(62)53-31)59-46(63)37-11-6-12-39(43(37)48(59)65)50-17-23-67-25-27-68-26-24-66-22-7-10-36(61)30-56-18-20-57(21-19-56)35-14-16-41(51-28-35)54-49-52-29-38-32(2)42(33(3)60)47(64)58(44(38)55-49)34-8-4-5-9-34;1-30-36-29-51-48(54-43(36)57(33-7-3-4-8-33)46(64)41(30)31(2)59)52-38-13-11-34(28-50-38)56-19-17-55(18-20-56)21-23-67-25-27-68-26-24-66-22-16-49-39(60)14-10-32-6-5-9-35-42(32)47(65)58(45(35)63)37-12-15-40(61)53-44(37)62;1-29-13-15-38(43(60)51-29)57-44(61)35-11-6-12-37(41(35)46(57)63)48-27-34(59)10-7-22-64-24-25-65-23-21-54-17-19-55(20-18-54)33-14-16-39(49-26-33)52-47-50-28-36-30(2)40(31(3)58)45(62)56(42(36)53-47)32-8-4-5-9-32;1-27-15-17-36(41(58)49-27)55-42(59)33-13-9-14-35(39(33)44(55)61)46-25-32(57)12-5-4-8-19-52-20-22-53(23-21-52)31-16-18-37(47-24-31)50-45-48-26-34-28(2)38(29(3)56)43(60)54(40(34)51-45)30-10-6-7-11-30/h6,11-12,14,16,28-29,34,40,50H,1,4-5,7-10,13,15,17-27,30H2,2-3H3,(H,53,62)(H,51,52,54,55);5-6,9,11,13,28-29,33,37H,3-4,7-8,10,12,14-27H2,1-2H3,(H,49,60)(H,53,61,62)(H,50,51,52,54);6,11-12,14,16,26,28,32,38,48H,1,4-5,7-10,13,15,17-25,27H2,2-3H3,(H,51,60)(H,49,50,52,53);9,13-14,16,18,24,26,30,36,46H,1,4-8,10-12,15,17,19-23,25H2,2-3H3,(H,49,58)(H,47,48,50,51)
InChIKeyJHCAMKAWCNEXJY-UHFFFAOYSA-N
XLogP17.33
TPSA858.23 Ų
H-Bond Donors12
H-Bond Acceptors64
Rotatable Bonds77
Heavy Atoms262
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003586.13
LogP ≤ 517.33
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (CID 158914738) is N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCC(=O)CCCCCN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCC(=O)CCCOCCOCCN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCCC(=O)CN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)c3C2=O)C(=O)N1.CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCOCCNC(=O)CCc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is JHCAMKAWCNEXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H60N10O9.C48H58N10O10.C47H56N10O8.C45H52N10O6/c1-31-13-15-40(45(62)53-31)59-46(63)37-11-6-12-39(43(37)48(59)65)50-17-23-67-25-27-68-26-24-66-22-7-10-36(61)30-56-18-20-57(21-19-56)35-14-16-41(51-28-35)54-49-52-29-38-32(2)42(33(3)60)47(64)58(44(38)55-49)34-8-4-5-9-34;1-30-36-29-51-48(54-43(36)57(33-7-3-4-8-33)46(64)41(30)31(2)59)52-38-13-11-34(28-50-38)56-19-17-55(18-20-56)21-23-67-25-27-68-26-24-66-22-16-49-39(60)14-10-32-6-5-9-35-42(32)47(65)58(45(35)63)37-12-15-40(61)53-44(37)62;1-29-13-15-38(43(60)51-29)57-44(61)35-11-6-12-37(41(35)46(57)63)48-27-34(59)10-7-22-64-24-25-65-23-21-54-17-19-55(20-18-54)33-14-16-39(49-26-33)52-47-50-28-36-30(2)40(31(3)58)45(62)56(42(36)53-47)32-8-4-5-9-32;1-27-15-17-36(41(58)49-27)55-42(59)33-13-9-14-35(39(33)44(55)61)46-25-32(57)12-5-4-8-19-52-20-22-53(23-21-52)31-16-18-37(47-24-31)50-45-48-26-34-28(2)38(29(3)56)43(60)54(40(34)51-45)30-10-6-7-11-30/h6,11-12,14,16,28-29,34,40,50H,1,4-5,7-10,13,15,17-27,30H2,2-3H3,(H,53,62)(H,51,52,54,55);5-6,9,11,13,28-29,33,37H,3-4,7-8,10,12,14-27H2,1-2H3,(H,49,60)(H,53,61,62)(H,50,51,52,54);6,11-12,14,16,26,28,32,38,48H,1,4-5,7-10,13,15,17-25,27H2,2-3H3,(H,51,60)(H,49,50,52,53);9,13-14,16,18,24,26,30,36,46H,1,4-8,10-12,15,17,19-23,25H2,2-3H3,(H,49,58)(H,47,48,50,51).
What are the key properties of N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 3586.13 g/mol, XLogP of 17.33, 77 rotatable bonds, 12 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;4-[[5-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]-2-oxopentyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxoheptyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 158914738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).