3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione

C24H23N5O2 — CID 22592015

IUPAC3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CCCn1cc(C2=C(c3n[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H23N5O2/c1-28(2)12-7-13-29-14-17(15-8-4-6-11-19(15)29)20-21(24(31)25-23(20)30)22-16-9-3-5-10-18(16)26-27-22/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,26,27)(H,25,30,31)
InChIKeyXIYBTJNOANAUDQ-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.04
Rot. Bonds6

About 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione

3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione (PubChem CID 22592015) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione
PubChem CID22592015
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CCCn1cc(C2=C(c3n[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H23N5O2/c1-28(2)12-7-13-29-14-17(15-8-4-6-11-19(15)29)20-21(24(31)25-23(20)30)22-16-9-3-5-10-18(16)26-27-22/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,26,27)(H,25,30,31)
InChIKeyXIYBTJNOANAUDQ-UHFFFAOYSA-N
XLogP3.04
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione (CID 22592015) is 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione is CN(C)CCCn1cc(C2=C(c3n[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione?
The InChIKey is XIYBTJNOANAUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-28(2)12-7-13-29-14-17(15-8-4-6-11-19(15)29)20-21(24(31)25-23(20)30)22-16-9-3-5-10-18(16)26-27-22/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,26,27)(H,25,30,31).
What are the key properties of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione?
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione has a molecular weight of 413.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22592015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).