2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine

C13H12N4 — CID 166338323

IUPAC2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
SMILESCc1ncc(-c2c[nH]c3ncccc23)cc1N
InChIInChI=1S/C13H12N4/c1-8-12(14)5-9(6-16-8)11-7-17-13-10(11)3-2-4-15-13/h2-7H,14H2,1H3,(H,15,17)
InChIKeyOIPBQZCLIUIFDE-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.52
Rot. Bonds1

About 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine

2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine (PubChem CID 166338323) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
PubChem CID166338323
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
SMILESCc1ncc(-c2c[nH]c3ncccc23)cc1N
InChIInChI=1S/C13H12N4/c1-8-12(14)5-9(6-16-8)11-7-17-13-10(11)3-2-4-15-13/h2-7H,14H2,1H3,(H,15,17)
InChIKeyOIPBQZCLIUIFDE-UHFFFAOYSA-N
XLogP2.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123600339
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide
CID 175782488
3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 143384633
5-methyl-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 170012021
4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25164369
3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 58087873
5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 127049686
6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 53494820
3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 171510288
6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 53494817

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine?
The IUPAC name of 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine (CID 166338323) is 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine.
What is the SMILES notation for 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine?
The canonical SMILES for 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine is Cc1ncc(-c2c[nH]c3ncccc23)cc1N.
What is the InChIKey of 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine?
The InChIKey is OIPBQZCLIUIFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-8-12(14)5-9(6-16-8)11-7-17-13-10(11)3-2-4-15-13/h2-7H,14H2,1H3,(H,15,17).
What are the key properties of 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine?
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine has a molecular weight of 224.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine is sourced from PubChem (CID 166338323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).