4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane

C141H159BrN24O35 — CID 160515421

About 4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane

4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane (PubChem CID 160515421) has the molecular formula C141H159BrN24O35 and a molecular weight of 2829.86 g/mol. Its IUPAC name is 4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane.

Molecular Properties

• Compound Name: 4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane
• PubChem CID: 160515421
• Molecular Formula: C141H159BrN24O35
• Molecular Weight: 2829.86 g/mol
• Exact Mass: 2827.06
• IUPAC Name: 4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane
• SMILES: C.CC(=O)c1c(C)c2cnc(Cc3ccc(N4CCN(C(=O)COCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O.CC(=O)c1c(C)c2cnc(Cc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(COCCOCCBr)OCc1ccccc1.O=C(O)COCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(NCCOCCOCC(=O)OCc4ccccc4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C44H49N9O9.C26H27N3O8.C25H30N6O2.C19H21N3O8.C13H17BrO4.C13H11N3O4.CH4/c1-26-32-24-47-35(48-40(32)52(29-6-3-4-7-29)43(59)38(26)27(2)54)22-28-10-11-30(23-46-28)50-15-17-51(18-16-50)37(56)25-62-21-20-61-19-14-45-33-9-5-8-31-39(33)44(60)53(42(31)58)34-12-13-36(55)49-41(34)57;30-21-10-9-20(24(32)28-21)29-25(33)18-7-4-8-19(23(18)26(29)34)27-11-12-35-13-14-36-16-22(31)37-15-17-5-2-1-3-6-17;1-16-21-15-28-22(13-18-7-8-20(14-27-18)30-11-9-26-10-12-30)29-24(21)31(19-5-3-4-6-19)25(33)23(16)17(2)32;23-14-5-4-13(17(26)21-14)22-18(27)11-2-1-3-12(16(11)19(22)28)20-6-7-29-8-9-30-10-15(24)25;14-6-7-16-8-9-17-11-13(15)18-10-12-4-2-1-3-5-12;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;/h5,8-11,23-24,29,34,45H,3-4,6-7,12-22,25H2,1-2H3,(H,49,55,57);1-8,20,27H,9-16H2,(H,28,30,32);7-8,14-15,19,26H,3-6,9-13H2,1-2H3;1-3,13,20H,4-10H2,(H,24,25)(H,21,23,26);1-5H,6-11H2;1-3,8H,4-5,14H2,(H,15,17,18);1H4
• InChIKey: QTOXEYOWVNYWMR-UHFFFAOYSA-N
• XLogP: 8.77
• TPSA: 754.35 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 49
• Rotatable Bonds: 52
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2829.86
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane?

The IUPAC name of 4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane (CID 160515421) is 4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane.

What is the SMILES notation for 4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane?

The canonical SMILES for 4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane is C.CC(=O)c1c(C)c2cnc(Cc3ccc(N4CCN(C(=O)COCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O.CC(=O)c1c(C)c2cnc(Cc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(COCCOCCBr)OCc1ccccc1.O=C(O)COCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(NCCOCCOCC(=O)OCc4ccccc4)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane?

The InChIKey is QTOXEYOWVNYWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H49N9O9.C26H27N3O8.C25H30N6O2.C19H21N3O8.C13H17BrO4.C13H11N3O4.CH4/c1-26-32-24-47-35(48-40(32)52(29-6-3-4-7-29)43(59)38(26)27(2)54)22-28-10-11-30(23-46-28)50-15-17-51(18-16-50)37(56)25-62-21-20-61-19-14-45-33-9-5-8-31-39(33)44(60)53(42(31)58)34-12-13-36(55)49-41(34)57;30-21-10-9-20(24(32)28-21)29-25(33)18-7-4-8-19(23(18)26(29)34)27-11-12-35-13-14-36-16-22(31)37-15-17-5-2-1-3-6-17;1-16-21-15-28-22(13-18-7-8-20(14-27-18)30-11-9-26-10-12-30)29-24(21)31(19-5-3-4-6-19)25(33)23(16)17(2)32;23-14-5-4-13(17(26)21-14)22-18(27)11-2-1-3-12(16(11)19(22)28)20-6-7-29-8-9-30-10-15(24)25;14-6-7-16-8-9-17-11-13(15)18-10-12-4-2-1-3-5-12;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;/h5,8-11,23-24,29,34,45H,3-4,6-7,12-22,25H2,1-2H3,(H,49,55,57);1-8,20,27H,9-16H2,(H,28,30,32);7-8,14-15,19,26H,3-6,9-13H2,1-2H3;1-3,13,20H,4-10H2,(H,24,25)(H,21,23,26);1-5H,6-11H2;1-3,8H,4-5,14H2,(H,15,17,18);1H4.

What are the key properties of 4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane?

4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane has a molecular weight of 2829.86 g/mol, XLogP of 8.77, 52 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;methane is sourced from PubChem (CID 160515421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).