3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile

C22H18FN5O2 — CID 90313146

IUPAC3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2ccc(-c3ccccc3C(=O)N3CCOCC3)cc2F)cnc1N
InChIInChI=1S/C22H18FN5O2/c23-18-11-14(5-6-17(18)20-13-26-21(25)19(12-24)27-20)15-3-1-2-4-16(15)22(29)28-7-9-30-10-8-28/h1-6,11,13H,7-10H2,(H2,25,26)
InChIKeyRZAUKODBMOLBCO-UHFFFAOYSA-N
MW403.42 g/mol
LogP2.88
Rot. Bonds3

About 3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile

3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile (PubChem CID 90313146) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile
PubChem CID90313146
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2ccc(-c3ccccc3C(=O)N3CCOCC3)cc2F)cnc1N
InChIInChI=1S/C22H18FN5O2/c23-18-11-14(5-6-17(18)20-13-26-21(25)19(12-24)27-20)15-3-1-2-4-16(15)22(29)28-7-9-30-10-8-28/h1-6,11,13H,7-10H2,(H2,25,26)
InChIKeyRZAUKODBMOLBCO-UHFFFAOYSA-N
XLogP2.88
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile (CID 90313146) is 3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile is N#Cc1nc(-c2ccc(-c3ccccc3C(=O)N3CCOCC3)cc2F)cnc1N.
What is the InChIKey of 3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile?
The InChIKey is RZAUKODBMOLBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c23-18-11-14(5-6-17(18)20-13-26-21(25)19(12-24)27-20)15-3-1-2-4-16(15)22(29)28-7-9-30-10-8-28/h1-6,11,13H,7-10H2,(H2,25,26).
What are the key properties of 3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile?
3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile has a molecular weight of 403.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 90313146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).