6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine

C16H9BrFN5 — CID 162687441

IUPAC6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine
SMILESFc1cnc2c(-c3ccccn3)c(-c3ccnc(Br)c3)[nH]c2n1
InChIInChI=1S/C16H9BrFN5/c17-11-7-9(4-6-20-11)14-13(10-3-1-2-5-19-10)15-16(23-14)22-12(18)8-21-15/h1-8H,(H,22,23)
InChIKeyVVAJSHKNAGTDCK-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.98
Rot. Bonds2

About 6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine

6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 162687441) has the molecular formula C16H9BrFN5 and a molecular weight of 370.19 g/mol. Its IUPAC name is 6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID162687441
Molecular FormulaC16H9BrFN5
Molecular Weight370.19 g/mol
Exact Mass369.00
IUPAC Name6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine
SMILESFc1cnc2c(-c3ccccn3)c(-c3ccnc(Br)c3)[nH]c2n1
InChIInChI=1S/C16H9BrFN5/c17-11-7-9(4-6-20-11)14-13(10-3-1-2-5-19-10)15-16(23-14)22-12(18)8-21-15/h1-8H,(H,22,23)
InChIKeyVVAJSHKNAGTDCK-UHFFFAOYSA-N
XLogP3.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine with MolForge

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Related Compounds

2-(2-bromo-4-pyridinyl)-7-(cyclopropylmethyl)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine
CID 162687546
2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11522294
4,4-difluoro-2-(4-fluorophenyl)-N-[4-(3-methyl-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide
CID 162687258
(2S)-4,4-difluoro-2-(4-fluorophenyl)-N-[4-(3-methyl-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide
CID 162687406
4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine
CID 162687589
2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine
CID 10841592
2-bromo-6-(2-fluoro-4-pyridinyl)pyridine
CID 71480002
(2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide
CID 162687276
N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide
CID 67240144
2-[[4-[7-(4-fluorophenyl)-3-(2-hydroxyethylamino)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]amino]ethanol
CID 67240751
2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598
2-bromo-4-(4-phenylphenyl)pyridine
CID 138597174

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine (CID 162687441) is 6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine is Fc1cnc2c(-c3ccccn3)c(-c3ccnc(Br)c3)[nH]c2n1.
What is the InChIKey of 6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is VVAJSHKNAGTDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFN5/c17-11-7-9(4-6-20-11)14-13(10-3-1-2-5-19-10)15-16(23-14)22-12(18)8-21-15/h1-8H,(H,22,23).
What are the key properties of 6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine?
6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 370.19 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 162687441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).