3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine

C25H24N6 — CID 46233845

IUPAC3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCN(c2cc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)ccn2)CC1
InChIInChI=1S/C25H24N6/c1-30-8-10-31(11-9-30)24-14-17(4-7-27-24)20-13-21-22(16-29-25(21)28-15-20)18-2-3-23-19(12-18)5-6-26-23/h2-7,12-16,26H,8-11H2,1H3,(H,28,29)
InChIKeySYUTZRZMZRCITO-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.53
Rot. Bonds3

About 3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine

3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 46233845) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID46233845
Molecular FormulaC25H24N6
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCN(c2cc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)ccn2)CC1
InChIInChI=1S/C25H24N6/c1-30-8-10-31(11-9-30)24-14-17(4-7-27-24)20-13-21-22(16-29-25(21)28-15-20)18-2-3-23-19(12-18)5-6-26-23/h2-7,12-16,26H,8-11H2,1H3,(H,28,29)
InChIKeySYUTZRZMZRCITO-UHFFFAOYSA-N
XLogP4.53
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine 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-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine (CID 46233845) is 3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine is CN1CCN(c2cc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)ccn2)CC1.
What is the InChIKey of 3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SYUTZRZMZRCITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6/c1-30-8-10-31(11-9-30)24-14-17(4-7-27-24)20-13-21-22(16-29-25(21)28-15-20)18-2-3-23-19(12-18)5-6-26-23/h2-7,12-16,26H,8-11H2,1H3,(H,28,29).
What are the key properties of 3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 408.51 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 46233845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).