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

C30H23N5O2S — CID 10301495

IUPAC3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione
SMILESNCCCn1nc(C2=C(c3cn(-c4csc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C30H23N5O2S/c31-14-7-15-35-23-12-5-2-10-20(23)28(33-35)27-26(29(36)32-30(27)37)21-16-34(22-11-4-1-8-18(21)22)24-17-38-25-13-6-3-9-19(24)25/h1-6,8-13,16-17H,7,14-15,31H2,(H,32,36,37)
InChIKeyANUONHHEYSLORP-UHFFFAOYSA-N
MW517.61 g/mol
LogP5.11
Rot. Bonds6

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

3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 10301495) has the molecular formula C30H23N5O2S and a molecular weight of 517.61 g/mol. Its IUPAC name is 3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione
PubChem CID10301495
Molecular FormulaC30H23N5O2S
Molecular Weight517.61 g/mol
Exact Mass517.16
IUPAC Name3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione
SMILESNCCCn1nc(C2=C(c3cn(-c4csc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C30H23N5O2S/c31-14-7-15-35-23-12-5-2-10-20(23)28(33-35)27-26(29(36)32-30(27)37)21-16-34(22-11-4-1-8-18(21)22)24-17-38-25-13-6-3-9-19(24)25/h1-6,8-13,16-17H,7,14-15,31H2,(H,32,36,37)
InChIKeyANUONHHEYSLORP-UHFFFAOYSA-N
XLogP5.11
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.61
LogP ≤ 55.11
H-Bond Donors ≤ 52
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-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione (CID 10301495) is 3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione is NCCCn1nc(C2=C(c3cn(-c4csc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is ANUONHHEYSLORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5O2S/c31-14-7-15-35-23-12-5-2-10-20(23)28(33-35)27-26(29(36)32-30(27)37)21-16-34(22-11-4-1-8-18(21)22)24-17-38-25-13-6-3-9-19(24)25/h1-6,8-13,16-17H,7,14-15,31H2,(H,32,36,37).
What are the key properties of 3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione?
3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 517.61 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 10301495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).