4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine

C12H11N5 — CID 44517344

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine
SMILESNc1cc(-c2c[nH]c3ncccc23)cc(N)n1
InChIInChI=1S/C12H11N5/c13-10-4-7(5-11(14)17-10)9-6-16-12-8(9)2-1-3-15-12/h1-6H,(H,15,16)(H4,13,14,17)
InChIKeyCUYZMHANGROXFG-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.79
Rot. Bonds1

About 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine

4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine (PubChem CID 44517344) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine
PubChem CID44517344
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine
SMILESNc1cc(-c2c[nH]c3ncccc23)cc(N)n1
InChIInChI=1S/C12H11N5/c13-10-4-7(5-11(14)17-10)9-6-16-12-8(9)2-1-3-15-12/h1-6H,(H,15,16)(H4,13,14,17)
InChIKeyCUYZMHANGROXFG-UHFFFAOYSA-N
XLogP1.79
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine 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 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine (CID 44517344) is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine is Nc1cc(-c2c[nH]c3ncccc23)cc(N)n1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine?
The InChIKey is CUYZMHANGROXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-10-4-7(5-11(14)17-10)9-6-16-12-8(9)2-1-3-15-12/h1-6H,(H,15,16)(H4,13,14,17).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine?
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine has a molecular weight of 225.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine is sourced from PubChem (CID 44517344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).