3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione

C23H20F3N5O2 — CID 11510801

IUPAC3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione
SMILESCN1CCN(c2cnc(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)CC1
InChIInChI=1S/C23H20F3N5O2/c1-30-6-8-31(9-7-30)13-10-15(20(28-11-13)23(24,25)26)18-19(22(33)29-21(18)32)16-12-27-17-5-3-2-4-14(16)17/h2-5,10-12,27H,6-9H2,1H3,(H,29,32,33)
InChIKeyGJLGWOBQUKXAKT-UHFFFAOYSA-N
MW455.44 g/mol
LogP2.90
Rot. Bonds3

About 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione

3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione (PubChem CID 11510801) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione
PubChem CID11510801
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione
SMILESCN1CCN(c2cnc(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)CC1
InChIInChI=1S/C23H20F3N5O2/c1-30-6-8-31(9-7-30)13-10-15(20(28-11-13)23(24,25)26)18-19(22(33)29-21(18)32)16-12-27-17-5-3-2-4-14(16)17/h2-5,10-12,27H,6-9H2,1H3,(H,29,32,33)
InChIKeyGJLGWOBQUKXAKT-UHFFFAOYSA-N
XLogP2.90
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]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-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione (CID 11510801) is 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione is CN1CCN(c2cnc(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)CC1.
What is the InChIKey of 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione?
The InChIKey is GJLGWOBQUKXAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-30-6-8-31(9-7-30)13-10-15(20(28-11-13)23(24,25)26)18-19(22(33)29-21(18)32)16-12-27-17-5-3-2-4-14(16)17/h2-5,10-12,27H,6-9H2,1H3,(H,29,32,33).
What are the key properties of 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione?
3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione has a molecular weight of 455.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione is sourced from PubChem (CID 11510801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).