2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

C42H49N7O9 — CID 156867248

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
SMILESC[C@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ccn2)CCN1CCOCCOCCOCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C42H49N7O9/c1-27-26-48(36-23-28(9-12-43-36)38-33-25-30(58-42(2)10-11-42)4-6-34(33)45-46-38)14-13-47(27)15-16-54-17-18-55-19-20-56-21-22-57-29-3-5-31-32(24-29)41(53)49(40(31)52)35-7-8-37(50)44-39(35)51/h3-6,9,12,23-25,27,35H,7-8,10-11,13-22,26H2,1-2H3,(H,45,46)(H,44,50,51)/t27-,35?/m0/s1
InChIKeyWQIPNZJNTOQPEY-UAJNXHJVSA-N
MW795.89 g/mol
LogP3.60
Rot. Bonds18

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 156867248) has the molecular formula C42H49N7O9 and a molecular weight of 795.89 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
PubChem CID156867248
Molecular FormulaC42H49N7O9
Molecular Weight795.89 g/mol
Exact Mass795.36
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
SMILESC[C@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ccn2)CCN1CCOCCOCCOCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C42H49N7O9/c1-27-26-48(36-23-28(9-12-43-36)38-33-25-30(58-42(2)10-11-42)4-6-34(33)45-46-38)14-13-47(27)15-16-54-17-18-55-19-20-56-21-22-57-29-3-5-31-32(24-29)41(53)49(40(31)52)35-7-8-37(50)44-39(35)51/h3-6,9,12,23-25,27,35H,7-8,10-11,13-22,26H2,1-2H3,(H,45,46)(H,44,50,51)/t27-,35?/m0/s1
InChIKeyWQIPNZJNTOQPEY-UAJNXHJVSA-N
XLogP3.60
TPSA177.75 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.89
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (CID 156867248) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is C[C@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ccn2)CCN1CCOCCOCCOCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The InChIKey is WQIPNZJNTOQPEY-UAJNXHJVSA-N. The full InChI is InChI=1S/C42H49N7O9/c1-27-26-48(36-23-28(9-12-43-36)38-33-25-30(58-42(2)10-11-42)4-6-34(33)45-46-38)14-13-47(27)15-16-54-17-18-55-19-20-56-21-22-57-29-3-5-31-32(24-29)41(53)49(40(31)52)35-7-8-37(50)44-39(35)51/h3-6,9,12,23-25,27,35H,7-8,10-11,13-22,26H2,1-2H3,(H,45,46)(H,44,50,51)/t27-,35?/m0/s1.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 795.89 g/mol, XLogP of 3.60, 18 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 156867248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).