3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione

C25H23N5O3 — CID 10138194

IUPAC3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione
SMILESC=Cn1cc(C2=C(c3nn(CC(O)CNC)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C25H23N5O3/c1-3-29-14-18(16-8-4-6-10-19(16)29)21-22(25(33)27-24(21)32)23-17-9-5-7-11-20(17)30(28-23)13-15(31)12-26-2/h3-11,14-15,26,31H,1,12-13H2,2H3,(H,27,32,33)
InChIKeyISZKXXYNWNZWNZ-UHFFFAOYSA-N
MW441.49 g/mol
LogP2.24
Rot. Bonds7

About 3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione

3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione (PubChem CID 10138194) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione
PubChem CID10138194
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione
SMILESC=Cn1cc(C2=C(c3nn(CC(O)CNC)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C25H23N5O3/c1-3-29-14-18(16-8-4-6-10-19(16)29)21-22(25(33)27-24(21)32)23-17-9-5-7-11-20(17)30(28-23)13-15(31)12-26-2/h3-11,14-15,26,31H,1,12-13H2,2H3,(H,27,32,33)
InChIKeyISZKXXYNWNZWNZ-UHFFFAOYSA-N
XLogP2.24
TPSA101.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione (CID 10138194) is 3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione is C=Cn1cc(C2=C(c3nn(CC(O)CNC)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione?
The InChIKey is ISZKXXYNWNZWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-3-29-14-18(16-8-4-6-10-19(16)29)21-22(25(33)27-24(21)32)23-17-9-5-7-11-20(17)30(28-23)13-15(31)12-26-2/h3-11,14-15,26,31H,1,12-13H2,2H3,(H,27,32,33).
What are the key properties of 3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione?
3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione has a molecular weight of 441.49 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethenylindol-3-yl)-4-[1-[2-hydroxy-3-(methylamino)propyl]indazol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 10138194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).