2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione

C37H35N7O10 — CID 155074517

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
SMILESCn1nc(-c2nc3cc(OCc4ccc(OCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cn4)ccc3o2)ccc1=O
InChIInChI=1S/C37H35N7O10/c1-43-32(46)12-8-27(42-43)35-40-28-19-23(7-10-30(28)54-35)53-21-22-5-6-24(20-39-22)52-18-17-51-16-15-50-14-13-38-26-4-2-3-25-33(26)37(49)44(36(25)48)29-9-11-31(45)41-34(29)47/h2-8,10,12,19-20,29,38H,9,11,13-18,21H2,1H3,(H,41,45,47)
InChIKeyAGSKRVUWXWPNEC-UHFFFAOYSA-N
MW737.73 g/mol
LogP2.49
Rot. Bonds16

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione (PubChem CID 155074517) has the molecular formula C37H35N7O10 and a molecular weight of 737.73 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
PubChem CID155074517
Molecular FormulaC37H35N7O10
Molecular Weight737.73 g/mol
Exact Mass737.24
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
SMILESCn1nc(-c2nc3cc(OCc4ccc(OCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cn4)ccc3o2)ccc1=O
InChIInChI=1S/C37H35N7O10/c1-43-32(46)12-8-27(42-43)35-40-28-19-23(7-10-30(28)54-35)53-21-22-5-6-24(20-39-22)52-18-17-51-16-15-50-14-13-38-26-4-2-3-25-33(26)37(49)44(36(25)48)29-9-11-31(45)41-34(29)47/h2-8,10,12,19-20,29,38H,9,11,13-18,21H2,1H3,(H,41,45,47)
InChIKeyAGSKRVUWXWPNEC-UHFFFAOYSA-N
XLogP2.49
TPSA206.31 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.73
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

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)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]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)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione (CID 155074517) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione is Cn1nc(-c2nc3cc(OCc4ccc(OCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cn4)ccc3o2)ccc1=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?
The InChIKey is AGSKRVUWXWPNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N7O10/c1-43-32(46)12-8-27(42-43)35-40-28-19-23(7-10-30(28)54-35)53-21-22-5-6-24(20-39-22)52-18-17-51-16-15-50-14-13-38-26-4-2-3-25-33(26)37(49)44(36(25)48)29-9-11-31(45)41-34(29)47/h2-8,10,12,19-20,29,38H,9,11,13-18,21H2,1H3,(H,41,45,47).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione has a molecular weight of 737.73 g/mol, XLogP of 2.49, 16 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 155074517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).