3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

C28H29N5O2 — CID 46234505

IUPAC3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)ccc1OCCN1CCNCC1
InChIInChI=1S/C28H29N5O2/c1-34-27-16-19(3-5-26(27)35-13-12-33-10-8-29-9-11-33)22-15-23-24(18-32-28(23)31-17-22)20-2-4-25-21(14-20)6-7-30-25/h2-7,14-18,29-30H,8-13H2,1H3,(H,31,32)
InChIKeyBDKQHXVYBFXYNY-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.67
Rot. Bonds7

About 3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 46234505) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID46234505
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)ccc1OCCN1CCNCC1
InChIInChI=1S/C28H29N5O2/c1-34-27-16-19(3-5-26(27)35-13-12-33-10-8-29-9-11-33)22-15-23-24(18-32-28(23)31-17-22)20-2-4-25-21(14-20)6-7-30-25/h2-7,14-18,29-30H,8-13H2,1H3,(H,31,32)
InChIKeyBDKQHXVYBFXYNY-UHFFFAOYSA-N
XLogP4.67
TPSA78.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-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-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 46234505) is 3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is COc1cc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)ccc1OCCN1CCNCC1.
What is the InChIKey of 3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BDKQHXVYBFXYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-34-27-16-19(3-5-26(27)35-13-12-33-10-8-29-9-11-33)22-15-23-24(18-32-28(23)31-17-22)20-2-4-25-21(14-20)6-7-30-25/h2-7,14-18,29-30H,8-13H2,1H3,(H,31,32).
What are the key properties of 3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 467.57 g/mol, XLogP of 4.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 46234505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).