3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione

C26H23N7O2 — CID 141451185

IUPAC3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCN1C(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C(c2nn(C)c3ncccc23)C1=O
InChIInChI=1S/C26H23N7O2/c1-30-25(34)21(22(26(30)35)23-18-8-5-10-28-24(18)31(2)29-23)19-15-33(20-9-4-3-7-17(19)20)13-6-12-32-14-11-27-16-32/h3-5,7-11,14-16H,6,12-13H2,1-2H3
InChIKeyLHRNIZZAPDBMMY-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.12
Rot. Bonds6

About 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione

3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione (PubChem CID 141451185) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
PubChem CID141451185
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC Name3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCN1C(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C(c2nn(C)c3ncccc23)C1=O
InChIInChI=1S/C26H23N7O2/c1-30-25(34)21(22(26(30)35)23-18-8-5-10-28-24(18)31(2)29-23)19-15-33(20-9-4-3-7-17(19)20)13-6-12-32-14-11-27-16-32/h3-5,7-11,14-16H,6,12-13H2,1-2H3
InChIKeyLHRNIZZAPDBMMY-UHFFFAOYSA-N
XLogP3.12
TPSA90.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-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-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione (CID 141451185) is 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione is CN1C(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C(c2nn(C)c3ncccc23)C1=O.
What is the InChIKey of 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione?
The InChIKey is LHRNIZZAPDBMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-30-25(34)21(22(26(30)35)23-18-8-5-10-28-24(18)31(2)29-23)19-15-33(20-9-4-3-7-17(19)20)13-6-12-32-14-11-27-16-32/h3-5,7-11,14-16H,6,12-13H2,1-2H3.
What are the key properties of 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione?
3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione has a molecular weight of 465.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 141451185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).