5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile

C13H7BrFN5 — CID 79947258

IUPAC5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile
SMILESN#Cc1cc(Nc2nc(Br)cn3ccnc23)ccc1F
InChIInChI=1S/C13H7BrFN5/c14-11-7-20-4-3-17-13(20)12(19-11)18-9-1-2-10(15)8(5-9)6-16/h1-5,7H,(H,18,19)
InChIKeyMIVZNSQNCIBROX-UHFFFAOYSA-N
MW332.14 g/mol
LogP3.25
Rot. Bonds2

About 5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile

5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile (PubChem CID 79947258) has the molecular formula C13H7BrFN5 and a molecular weight of 332.14 g/mol. Its IUPAC name is 5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile
PubChem CID79947258
Molecular FormulaC13H7BrFN5
Molecular Weight332.14 g/mol
Exact Mass330.99
IUPAC Name5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile
SMILESN#Cc1cc(Nc2nc(Br)cn3ccnc23)ccc1F
InChIInChI=1S/C13H7BrFN5/c14-11-7-20-4-3-17-13(20)12(19-11)18-9-1-2-10(15)8(5-9)6-16/h1-5,7H,(H,18,19)
InChIKeyMIVZNSQNCIBROX-UHFFFAOYSA-N
XLogP3.25
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile?
The IUPAC name of 5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile (CID 79947258) is 5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile is N#Cc1cc(Nc2nc(Br)cn3ccnc23)ccc1F.
What is the InChIKey of 5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile?
The InChIKey is MIVZNSQNCIBROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN5/c14-11-7-20-4-3-17-13(20)12(19-11)18-9-1-2-10(15)8(5-9)6-16/h1-5,7H,(H,18,19).
What are the key properties of 5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile?
5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile has a molecular weight of 332.14 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile is sourced from PubChem (CID 79947258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).