5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine

C15H9FN4O — CID 141482227

IUPAC5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cnc2[nH]cc(-c3nccc(-c4ccco4)n3)c2c1
InChIInChI=1S/C15H9FN4O/c16-9-6-10-11(8-19-14(10)18-7-9)15-17-4-3-12(20-15)13-2-1-5-21-13/h1-8H,(H,18,19)
InChIKeyQPLUKCPCSJLLHP-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.42
Rot. Bonds2

About 5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine

5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 141482227) has the molecular formula C15H9FN4O and a molecular weight of 280.26 g/mol. Its IUPAC name is 5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID141482227
Molecular FormulaC15H9FN4O
Molecular Weight280.26 g/mol
Exact Mass280.08
IUPAC Name5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cnc2[nH]cc(-c3nccc(-c4ccco4)n3)c2c1
InChIInChI=1S/C15H9FN4O/c16-9-6-10-11(8-19-14(10)18-7-9)15-17-4-3-12(20-15)13-2-1-5-21-13/h1-8H,(H,18,19)
InChIKeyQPLUKCPCSJLLHP-UHFFFAOYSA-N
XLogP3.42
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-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 5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine (CID 141482227) is 5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine is Fc1cnc2[nH]cc(-c3nccc(-c4ccco4)n3)c2c1.
What is the InChIKey of 5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QPLUKCPCSJLLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O/c16-9-6-10-11(8-19-14(10)18-7-9)15-17-4-3-12(20-15)13-2-1-5-21-13/h1-8H,(H,18,19).
What are the key properties of 5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 280.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141482227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).