3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione

C22H18N4O2 — CID 143393491

IUPAC3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione
SMILESCCCn1cc(C2=C(c3n[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H18N4O2/c1-2-11-26-12-15(13-7-4-6-10-17(13)26)18-19(22(28)23-21(18)27)20-14-8-3-5-9-16(14)24-25-20/h3-10,12H,2,11H2,1H3,(H,24,25)(H,23,27,28)
InChIKeyFJNYEOLUFNXKBI-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.49
Rot. Bonds4

About 3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione

3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione (PubChem CID 143393491) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione
PubChem CID143393491
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione
SMILESCCCn1cc(C2=C(c3n[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H18N4O2/c1-2-11-26-12-15(13-7-4-6-10-17(13)26)18-19(22(28)23-21(18)27)20-14-8-3-5-9-16(14)24-25-20/h3-10,12H,2,11H2,1H3,(H,24,25)(H,23,27,28)
InChIKeyFJNYEOLUFNXKBI-UHFFFAOYSA-N
XLogP3.49
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(1-dodecylindol-3-yl)pyrrole-2,5-dione
CID 139200953
3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1H-indazol-3-yl)pyrrole-2,5-dione
CID 10136519
3-(1-methylindol-3-yl)-4-[1-(3-sulfanylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 18780279
3-[1-(4-aminobutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327933
3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327930
3-(1-butylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
CID 118727280
3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 16760314
3-[1-[3-(methylamino)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 18780255
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 18780242
3,4-bis[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;3,4-bis(1H-indol-2-yl)pyrrole-2,5-dione
CID 70210567
4-(1-butylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione
CID 59616555
3-(4-butoxyphenyl)-4-[1-[3-(5-methylimidazol-1-yl)propyl]indol-3-yl]pyrrole-2,5-dione
CID 177378624

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione (CID 143393491) is 3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione is CCCn1cc(C2=C(c3n[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is FJNYEOLUFNXKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-2-11-26-12-15(13-7-4-6-10-17(13)26)18-19(22(28)23-21(18)27)20-14-8-3-5-9-16(14)24-25-20/h3-10,12H,2,11H2,1H3,(H,24,25)(H,23,27,28).
What are the key properties of 3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione?
3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 370.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 143393491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).