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

C32H27N5O2S — CID 10187378

IUPAC3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione
SMILESCN(C)CCCn1nc(C2=C(c3cn(-c4csc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C32H27N5O2S/c1-35(2)16-9-17-37-25-14-7-4-12-22(25)30(34-37)29-28(31(38)33-32(29)39)23-18-36(24-13-6-3-10-20(23)24)26-19-40-27-15-8-5-11-21(26)27/h3-8,10-15,18-19H,9,16-17H2,1-2H3,(H,33,38,39)
InChIKeyDVXSJBDRMIDVMC-UHFFFAOYSA-N
MW545.67 g/mol
LogP5.71
Rot. Bonds7

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

3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione (PubChem CID 10187378) has the molecular formula C32H27N5O2S and a molecular weight of 545.67 g/mol. Its IUPAC name is 3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione
PubChem CID10187378
Molecular FormulaC32H27N5O2S
Molecular Weight545.67 g/mol
Exact Mass545.19
IUPAC Name3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione
SMILESCN(C)CCCn1nc(C2=C(c3cn(-c4csc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C32H27N5O2S/c1-35(2)16-9-17-37-25-14-7-4-12-22(25)30(34-37)29-28(31(38)33-32(29)39)23-18-36(24-13-6-3-10-20(23)24)26-19-40-27-15-8-5-11-21(26)27/h3-8,10-15,18-19H,9,16-17H2,1-2H3,(H,33,38,39)
InChIKeyDVXSJBDRMIDVMC-UHFFFAOYSA-N
XLogP5.71
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.67
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione (CID 10187378) is 3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione is CN(C)CCCn1nc(C2=C(c3cn(-c4csc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione?
The InChIKey is DVXSJBDRMIDVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5O2S/c1-35(2)16-9-17-37-25-14-7-4-12-22(25)30(34-37)29-28(31(38)33-32(29)39)23-18-36(24-13-6-3-10-20(23)24)26-19-40-27-15-8-5-11-21(26)27/h3-8,10-15,18-19H,9,16-17H2,1-2H3,(H,33,38,39).
What are the key properties of 3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione?
3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione has a molecular weight of 545.67 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzothiophen-3-yl)indol-3-yl]-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 10187378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).