1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine

C13H16F2N4 — CID 86708008

IUPAC1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine
SMILESCC(N)c1nc2ccn(C)c2cc1N1CC(F)(F)C1
InChIInChI=1S/C13H16F2N4/c1-8(16)12-11(19-6-13(14,15)7-19)5-10-9(17-12)3-4-18(10)2/h3-5,8H,6-7,16H2,1-2H3
InChIKeyIYSZWTNSBJWIFY-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.05
Rot. Bonds2

About 1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine

1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine (PubChem CID 86708008) has the molecular formula C13H16F2N4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine
PubChem CID86708008
Molecular FormulaC13H16F2N4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine
SMILESCC(N)c1nc2ccn(C)c2cc1N1CC(F)(F)C1
InChIInChI=1S/C13H16F2N4/c1-8(16)12-11(19-6-13(14,15)7-19)5-10-9(17-12)3-4-18(10)2/h3-5,8H,6-7,16H2,1-2H3
InChIKeyIYSZWTNSBJWIFY-UHFFFAOYSA-N
XLogP2.05
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine 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 1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine?
The IUPAC name of 1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine (CID 86708008) is 1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine.
What is the SMILES notation for 1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine?
The canonical SMILES for 1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine is CC(N)c1nc2ccn(C)c2cc1N1CC(F)(F)C1.
What is the InChIKey of 1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine?
The InChIKey is IYSZWTNSBJWIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-8(16)12-11(19-6-13(14,15)7-19)5-10-9(17-12)3-4-18(10)2/h3-5,8H,6-7,16H2,1-2H3.
What are the key properties of 1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine?
1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine has a molecular weight of 266.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,3-difluoroazetidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethanamine is sourced from PubChem (CID 86708008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).