2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione

C37H33IN7O4- — CID 170751051

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione
SMILESCc1cccc(-c2cnc(Nc3ccc(C4CCN([I-]c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)c3nccn23)c1
InChIInChI=1S/C37H33IN7O4/c1-22-3-2-4-25(19-22)31-21-40-33(34-39-15-18-44(31)34)41-27-8-5-23(6-9-27)24-13-16-43(17-14-24)38-26-7-10-28-29(20-26)37(49)45(36(28)48)30-11-12-32(46)42-35(30)47/h2-10,15,18-21,24,30H,11-14,16-17H2,1H3,(H,40,41)(H,42,46,47)/q-1
InChIKeyZVJFHOGRWCIIDN-UHFFFAOYSA-N
MW766.62 g/mol
LogP1.90
Rot. Bonds7

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione (PubChem CID 170751051) has the molecular formula C37H33IN7O4- and a molecular weight of 766.62 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione
PubChem CID170751051
Molecular FormulaC37H33IN7O4-
Molecular Weight766.62 g/mol
Exact Mass766.16
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione
SMILESCc1cccc(-c2cnc(Nc3ccc(C4CCN([I-]c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)c3nccn23)c1
InChIInChI=1S/C37H33IN7O4/c1-22-3-2-4-25(19-22)31-21-40-33(34-39-15-18-44(31)34)41-27-8-5-23(6-9-27)24-13-16-43(17-14-24)38-26-7-10-28-29(20-26)37(49)45(36(28)48)30-11-12-32(46)42-35(30)47/h2-10,15,18-21,24,30H,11-14,16-17H2,1H3,(H,40,41)(H,42,46,47)/q-1
InChIKeyZVJFHOGRWCIIDN-UHFFFAOYSA-N
XLogP1.90
TPSA129.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500766.62
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[4-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-4-oxobutyl]acetamide
CID 170751085
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide
CID 170751087
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 177249594
2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 165380103
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
5-[4-[4-[4-[[3-(2,6-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperidine-1-carbonyl]-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166545987
2-(2,6-dioxopiperidin-3-yl)-5-[1-(2-piperazin-1-ylethyl)piperidin-4-yl]isoindole-1,3-dione
CID 175835892
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea
CID 176565051
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
5-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]-3-pyridin-3-yl-1,2,4-triazine-6-carboxamide
CID 168867557
2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione
CID 167063564

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione (CID 170751051) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione is Cc1cccc(-c2cnc(Nc3ccc(C4CCN([I-]c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)c3nccn23)c1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione?
The InChIKey is ZVJFHOGRWCIIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33IN7O4/c1-22-3-2-4-25(19-22)31-21-40-33(34-39-15-18-44(31)34)41-27-8-5-23(6-9-27)24-13-16-43(17-14-24)38-26-7-10-28-29(20-26)37(49)45(36(28)48)30-11-12-32(46)42-35(30)47/h2-10,15,18-21,24,30H,11-14,16-17H2,1H3,(H,40,41)(H,42,46,47)/q-1.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione has a molecular weight of 766.62 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione is sourced from PubChem (CID 170751051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).