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

C24H15N5O2 — CID 10272623

IUPAC3-(1H-indazol-3-yl)-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(-c3cccnc3)c3ccccc23)=C1c1n[nH]c2ccccc12
InChIInChI=1S/C24H15N5O2/c30-23-20(21(24(31)26-23)22-16-8-1-3-9-18(16)27-28-22)17-13-29(14-6-5-11-25-12-14)19-10-4-2-7-15(17)19/h1-13H,(H,27,28)(H,26,30,31)
InChIKeyFURJAMJXUHRQFZ-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.47
Rot. Bonds3

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

3-(1H-indazol-3-yl)-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione (PubChem CID 10272623) has the molecular formula C24H15N5O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is 3-(1H-indazol-3-yl)-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indazol-3-yl)-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione
PubChem CID10272623
Molecular FormulaC24H15N5O2
Molecular Weight405.42 g/mol
Exact Mass405.12
IUPAC Name3-(1H-indazol-3-yl)-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(-c3cccnc3)c3ccccc23)=C1c1n[nH]c2ccccc12
InChIInChI=1S/C24H15N5O2/c30-23-20(21(24(31)26-23)22-16-8-1-3-9-18(16)27-28-22)17-13-29(14-6-5-11-25-12-14)19-10-4-2-7-15(17)19/h1-13H,(H,27,28)(H,26,30,31)
InChIKeyFURJAMJXUHRQFZ-UHFFFAOYSA-N
XLogP3.47
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.47
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-(1H-indazol-3-yl)-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indazol-3-yl)-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione (CID 10272623) is 3-(1H-indazol-3-yl)-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indazol-3-yl)-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indazol-3-yl)-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2cn(-c3cccnc3)c3ccccc23)=C1c1n[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indazol-3-yl)-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is FURJAMJXUHRQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N5O2/c30-23-20(21(24(31)26-23)22-16-8-1-3-9-18(16)27-28-22)17-13-29(14-6-5-11-25-12-14)19-10-4-2-7-15(17)19/h1-13H,(H,27,28)(H,26,30,31).
What are the key properties of 3-(1H-indazol-3-yl)-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione?
3-(1H-indazol-3-yl)-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 405.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-3-yl)-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 10272623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).