1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione

C21H18N4O4 — CID 168558814

IUPAC1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)N1CCO
InChIInChI=1S/C21H18N4O4/c26-7-6-25-17(27)9-16(19(25)28)23-14-4-3-12-10-21(11-13(12)8-14)15-2-1-5-22-18(15)24-20(21)29/h1-5,8-9,23,26H,6-7,10-11H2,(H,22,24,29)
InChIKeyXQDGOZKGLNCERQ-UHFFFAOYSA-N
MW390.40 g/mol
LogP0.73
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione (PubChem CID 168558814) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione
PubChem CID168558814
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)N1CCO
InChIInChI=1S/C21H18N4O4/c26-7-6-25-17(27)9-16(19(25)28)23-14-4-3-12-10-21(11-13(12)8-14)15-2-1-5-22-18(15)24-20(21)29/h1-5,8-9,23,26H,6-7,10-11H2,(H,22,24,29)
InChIKeyXQDGOZKGLNCERQ-UHFFFAOYSA-N
XLogP0.73
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione (CID 168558814) is 1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione is O=C1C=C(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)N1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione?
The InChIKey is XQDGOZKGLNCERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c26-7-6-25-17(27)9-16(19(25)28)23-14-4-3-12-10-21(11-13(12)8-14)15-2-1-5-22-18(15)24-20(21)29/h1-5,8-9,23,26H,6-7,10-11H2,(H,22,24,29).
What are the key properties of 1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione has a molecular weight of 390.40 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 168558814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).