5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile

C20H12F2N4O — CID 10406330

IUPAC5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile
SMILESCn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O
InChIInChI=1S/C20H12F2N4O/c1-25-6-7-26-18(11-24-19(26)20(25)27)12-2-5-17(22)16(9-12)15-4-3-14(21)8-13(15)10-23/h2-9,11H,1H3
InChIKeyKVQKVRWATUWLAO-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.52
Rot. Bonds2

About 5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile

5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile (PubChem CID 10406330) has the molecular formula C20H12F2N4O and a molecular weight of 362.34 g/mol. Its IUPAC name is 5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile
PubChem CID10406330
Molecular FormulaC20H12F2N4O
Molecular Weight362.34 g/mol
Exact Mass362.10
IUPAC Name5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile
SMILESCn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O
InChIInChI=1S/C20H12F2N4O/c1-25-6-7-26-18(11-24-19(26)20(25)27)12-2-5-17(22)16(9-12)15-4-3-14(21)8-13(15)10-23/h2-9,11H,1H3
InChIKeyKVQKVRWATUWLAO-UHFFFAOYSA-N
XLogP3.52
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile?
The IUPAC name of 5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile (CID 10406330) is 5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile?
The canonical SMILES for 5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile is Cn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O.
What is the InChIKey of 5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile?
The InChIKey is KVQKVRWATUWLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4O/c1-25-6-7-26-18(11-24-19(26)20(25)27)12-2-5-17(22)16(9-12)15-4-3-14(21)8-13(15)10-23/h2-9,11H,1H3.
What are the key properties of 5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile?
5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile has a molecular weight of 362.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile is sourced from PubChem (CID 10406330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).