3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione

C27H28N6O2 — CID 45272589

IUPAC3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCCN4CCCCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C27H28N6O2/c1-31-17-20(18-9-3-4-11-21(18)31)22-23(27(35)29-26(22)34)24-19-10-7-12-28-25(19)33(30-24)16-8-15-32-13-5-2-6-14-32/h3-4,7,9-12,17H,2,5-6,8,13-16H2,1H3,(H,29,34,35)
InChIKeyWGYVMHRMKCQIQL-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.37
Rot. Bonds6

About 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione (PubChem CID 45272589) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
PubChem CID45272589
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCCN4CCCCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C27H28N6O2/c1-31-17-20(18-9-3-4-11-21(18)31)22-23(27(35)29-26(22)34)24-19-10-7-12-28-25(19)33(30-24)16-8-15-32-13-5-2-6-14-32/h3-4,7,9-12,17H,2,5-6,8,13-16H2,1H3,(H,29,34,35)
InChIKeyWGYVMHRMKCQIQL-UHFFFAOYSA-N
XLogP3.37
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[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-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione (CID 45272589) is 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione is Cn1cc(C2=C(c3nn(CCCN4CCCCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The InChIKey is WGYVMHRMKCQIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-31-17-20(18-9-3-4-11-21(18)31)22-23(27(35)29-26(22)34)24-19-10-7-12-28-25(19)33(30-24)16-8-15-32-13-5-2-6-14-32/h3-4,7,9-12,17H,2,5-6,8,13-16H2,1H3,(H,29,34,35).
What are the key properties of 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione has a molecular weight of 468.56 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 45272589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).