3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine

C21H16N4 — CID 135061169

IUPAC3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(C(c2c[nH]c3ncccc23)c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C21H16N4/c1-2-6-14(7-3-1)19(17-12-24-20-15(17)8-4-10-22-20)18-13-25-21-16(18)9-5-11-23-21/h1-13,19H,(H,22,24)(H,23,25)
InChIKeyMELVJLXSRZRTAJ-UHFFFAOYSA-N
MW324.39 g/mol
LogP4.62
Rot. Bonds3

About 3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine

3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 135061169) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID135061169
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(C(c2c[nH]c3ncccc23)c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C21H16N4/c1-2-6-14(7-3-1)19(17-12-24-20-15(17)8-4-10-22-20)18-13-25-21-16(18)9-5-11-23-21/h1-13,19H,(H,22,24)(H,23,25)
InChIKeyMELVJLXSRZRTAJ-UHFFFAOYSA-N
XLogP4.62
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-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-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine (CID 135061169) is 3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine is c1ccc(C(c2c[nH]c3ncccc23)c2c[nH]c3ncccc23)cc1.
What is the InChIKey of 3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MELVJLXSRZRTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4/c1-2-6-14(7-3-1)19(17-12-24-20-15(17)8-4-10-22-20)18-13-25-21-16(18)9-5-11-23-21/h1-13,19H,(H,22,24)(H,23,25).
What are the key properties of 3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 324.39 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135061169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).