bis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride

C103H124Cl4N26O11 — CID 157420214

IUPACbis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
SMILESCN(C)C(=O)c1cc2cnc(Cc3ccc(N4CCN(CCN5CCN(c6ccc7c(c6Cl)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cn3)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Cc3ccc(N4CCN(CCN5CCN(c6ccc7c(c6Cl)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cn3)nc2n1C1CCCC1.Cl.O=C1CCC(N2Cc3c(ccc(N4CCNCC4)c3Cl)C2=O)C(=O)N1
InChIInChI=1S/2C43H52ClN11O4.C17H19ClN4O3.ClH/c2*1-49(2)43(59)36-23-28-25-46-37(47-40(28)55(36)30-5-3-4-6-30)24-29-7-8-31(26-45-29)52-19-15-50(16-20-52)13-14-51-17-21-53(22-18-51)34-10-9-32-33(39(34)44)27-54(42(32)58)35-11-12-38(56)48-41(35)57;18-15-11-9-22(13-3-4-14(23)20-16(13)24)17(25)10(11)1-2-12(15)21-7-5-19-6-8-21;/h2*7-10,23,25-26,30,35H,3-6,11-22,24,27H2,1-2H3,(H,48,56,57);1-2,13,19H,3-9H2,(H,20,23,24);1H
InChIKeyIGFOCUBQMGHHIL-UHFFFAOYSA-N
MW2044.11 g/mol
LogP8.12
Rot. Bonds22

About bis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride

bis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride (PubChem CID 157420214) has the molecular formula C103H124Cl4N26O11 and a molecular weight of 2044.11 g/mol. Its IUPAC name is bis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Namebis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
PubChem CID157420214
Molecular FormulaC103H124Cl4N26O11
Molecular Weight2044.11 g/mol
Exact Mass2040.87
IUPAC Namebis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
SMILESCN(C)C(=O)c1cc2cnc(Cc3ccc(N4CCN(CCN5CCN(c6ccc7c(c6Cl)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cn3)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Cc3ccc(N4CCN(CCN5CCN(c6ccc7c(c6Cl)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cn3)nc2n1C1CCCC1.Cl.O=C1CCC(N2Cc3c(ccc(N4CCNCC4)c3Cl)C2=O)C(=O)N1
InChIInChI=1S/2C43H52ClN11O4.C17H19ClN4O3.ClH/c2*1-49(2)43(59)36-23-28-25-46-37(47-40(28)55(36)30-5-3-4-6-30)24-29-7-8-31(26-45-29)52-19-15-50(16-20-52)13-14-51-17-21-53(22-18-51)34-10-9-32-33(39(34)44)27-54(42(32)58)35-11-12-38(56)48-41(35)57;18-15-11-9-22(13-3-4-14(23)20-16(13)24)17(25)10(11)1-2-12(15)21-7-5-19-6-8-21;/h2*7-10,23,25-26,30,35H,3-6,11-22,24,27H2,1-2H3,(H,48,56,57);1-2,13,19H,3-9H2,(H,20,23,24);1H
InChIKeyIGFOCUBQMGHHIL-UHFFFAOYSA-N
XLogP8.12
TPSA368.45 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002044.11
LogP ≤ 58.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze bis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-cyclopentyl-2-[[5-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 155229310
7-cyclopentyl-2-[[5-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-4,6-difluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 155229332
7-cyclopentyl-2-[[5-[4-[2-[4-[2-[5-(2,6-dioxopiperidin-3-yl)pentyl]-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 155244236
7-cyclopentyl-2-[[5-[4-[2-[4-[2-[5-(2,6-dioxopiperidin-3-yl)pentyl]-4,6-difluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 155244264
7-cyclopentyl-2-[[5-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-4,6-difluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 157458886
7-cyclopentyl-2-[[5-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 158116086
8-chloro-2-[3-(1,1-difluoroethyl)phenyl]-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)-3-methylbutyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)-2-methylpropyl]-2-phenylisoquinolin-1-one;8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one;8-chloro-2-phenyl-3-[(1S)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-one
CID 160304952
(Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one;(5-chloro-1H-indol-2-yl)-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenyl)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-chloro-1H-indol-2-yl)-(1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl)methanone;[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 161765716
3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde
CID 162010580
5-[[6-[1'-[2-chloro-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]benzoyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide
CID 164135770
N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrrolidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyrrolidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide
CID 167206747
7-cyclopentyl-2-[[5-[4-[2-[4-[6-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 167599229

Frequently Asked Questions

What is the IUPAC name of bis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride?
The IUPAC name of bis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride (CID 157420214) is bis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for bis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride?
The canonical SMILES for bis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride is CN(C)C(=O)c1cc2cnc(Cc3ccc(N4CCN(CCN5CCN(c6ccc7c(c6Cl)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cn3)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Cc3ccc(N4CCN(CCN5CCN(c6ccc7c(c6Cl)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cn3)nc2n1C1CCCC1.Cl.O=C1CCC(N2Cc3c(ccc(N4CCNCC4)c3Cl)C2=O)C(=O)N1.
What is the InChIKey of bis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride?
The InChIKey is IGFOCUBQMGHHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H52ClN11O4.C17H19ClN4O3.ClH/c2*1-49(2)43(59)36-23-28-25-46-37(47-40(28)55(36)30-5-3-4-6-30)24-29-7-8-31(26-45-29)52-19-15-50(16-20-52)13-14-51-17-21-53(22-18-51)34-10-9-32-33(39(34)44)27-54(42(32)58)35-11-12-38(56)48-41(35)57;18-15-11-9-22(13-3-4-14(23)20-16(13)24)17(25)10(11)1-2-12(15)21-7-5-19-6-8-21;/h2*7-10,23,25-26,30,35H,3-6,11-22,24,27H2,1-2H3,(H,48,56,57);1-2,13,19H,3-9H2,(H,20,23,24);1H.
What are the key properties of bis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride?
bis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride has a molecular weight of 2044.11 g/mol, XLogP of 8.12, 22 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[[5-[4-[2-[4-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide);3-(7-chloro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 157420214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).