3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine

C19H13N5 — CID 91240919

IUPAC3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc(-c2c[nH]c3ncccc23)nc(-c2c[nH]c3ncccc23)c1
InChIInChI=1S/C19H13N5/c1-6-16(14-10-22-18-12(14)4-2-8-20-18)24-17(7-1)15-11-23-19-13(15)5-3-9-21-19/h1-11H,(H,20,22)(H,21,23)
InChIKeyZVAVMZIZXVNWDY-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.17
Rot. Bonds2

About 3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine

3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 91240919) has the molecular formula C19H13N5 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID91240919
Molecular FormulaC19H13N5
Molecular Weight311.35 g/mol
Exact Mass311.12
IUPAC Name3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc(-c2c[nH]c3ncccc23)nc(-c2c[nH]c3ncccc23)c1
InChIInChI=1S/C19H13N5/c1-6-16(14-10-22-18-12(14)4-2-8-20-18)24-17(7-1)15-11-23-19-13(15)5-3-9-21-19/h1-11H,(H,20,22)(H,21,23)
InChIKeyZVAVMZIZXVNWDY-UHFFFAOYSA-N
XLogP4.17
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-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-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine (CID 91240919) is 3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine is c1cc(-c2c[nH]c3ncccc23)nc(-c2c[nH]c3ncccc23)c1.
What is the InChIKey of 3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZVAVMZIZXVNWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5/c1-6-16(14-10-22-18-12(14)4-2-8-20-18)24-17(7-1)15-11-23-19-13(15)5-3-9-21-19/h1-11H,(H,20,22)(H,21,23).
What are the key properties of 3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 311.35 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 91240919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).