About 6-acetyl-2-[[5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one;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-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[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]ethyl]carbamate;tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid
6-acetyl-2-[[5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one;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-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[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]ethyl]carbamate;tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid (PubChem CID 158936504) has the molecular formula C161H210BrN37O31
and a molecular weight of 3239.58 g/mol. Its IUPAC name is 6-acetyl-2-[[5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one;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-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[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]ethyl]carbamate;tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid.
Frequently Asked Questions
What is the IUPAC name of 6-acetyl-2-[[5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one;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-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[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]ethyl]carbamate;tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid?
The IUPAC name of 6-acetyl-2-[[5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one;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-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[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]ethyl]carbamate;tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid (CID 158936504) is 6-acetyl-2-[[5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one;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-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[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]ethyl]carbamate;tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid.
What is the SMILES notation for 6-acetyl-2-[[5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one;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-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[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]ethyl]carbamate;tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid?
The canonical SMILES for 6-acetyl-2-[[5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one;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-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[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]ethyl]carbamate;tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCCC(=O)CNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O.CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCN)CC4)cn3)nc2n(C2CCCC2)c1=O.CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCNC(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O.CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.CC(C)(C)OC(=O)NCCOCCOCCBr.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 6-acetyl-2-[[5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one;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-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[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]ethyl]carbamate;tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid?
The InChIKey is JJSFWBXVBZOLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54N10O9.C35H50N8O6.C30H42N8O4.C24H29N7O2.C15H13N3O6.C11H22BrNO4/c1-28-34-27-49-46(52-41(34)55(30-7-3-4-8-30)44(62)39(28)29(2)57)50-37-14-12-31(25-48-37)54-18-16-53(17-19-54)20-22-65-24-23-64-21-6-9-32(58)26-47-35-11-5-10-33-40(35)45(63)56(43(33)61)36-13-15-38(59)51-42(36)60;1-24-28-23-38-33(40-31(28)43(26-8-6-7-9-26)32(45)30(24)25(2)44)39-29-11-10-27(22-37-29)42-15-13-41(14-16-42)17-19-48-21-20-47-18-12-36-34(46)49-35(3,4)5;1-21-25-20-33-30(35-28(25)38(23-5-3-4-6-23)29(40)27(21)22(2)39)34-26-8-7-24(19-32-26)37-12-10-36(11-13-37)14-16-42-18-17-41-15-9-31;1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32;19-10-5-4-9(13(22)17-10)18-14(23)7-2-1-3-8(12(7)15(18)24)16-6-11(20)21;1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h5,10-12,14,25,27,30,36,47H,3-4,6-9,13,15-24,26H2,1-2H3,(H,51,59,60)(H,48,49,50,52);10-11,22-23,26H,6-9,12-21H2,1-5H3,(H,36,46)(H,37,38,39,40);7-8,19-20,23H,3-6,9-18,31H2,1-2H3,(H,32,33,34,35);7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22);4-9H2,1-3H3,(H,13,14).
What are the key properties of 6-acetyl-2-[[5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one;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-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[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]ethyl]carbamate;tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid?
6-acetyl-2-[[5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one;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-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[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]ethyl]carbamate;tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid has a molecular weight of 3239.58 g/mol, XLogP of 14.97, 63 rotatable bonds, 13 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[[5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one;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-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[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]ethyl]carbamate;tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid is sourced from PubChem (CID 158936504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).