[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone

C22H19F3N4O2 — CID 72711191

IUPAC[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)17-7-5-15(6-8-17)19-20(26)27-13-18(28-19)14-1-3-16(4-2-14)21(30)29-9-11-31-12-10-29/h1-8,13H,9-12H2,(H2,26,27)
InChIKeyJTVQYNCQTWIEOM-UHFFFAOYSA-N
MW428.41 g/mol
LogP3.88
Rot. Bonds3

About [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone

[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 72711191) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID72711191
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)17-7-5-15(6-8-17)19-20(26)27-13-18(28-19)14-1-3-16(4-2-14)21(30)29-9-11-31-12-10-29/h1-8,13H,9-12H2,(H2,26,27)
InChIKeyJTVQYNCQTWIEOM-UHFFFAOYSA-N
XLogP3.88
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone (CID 72711191) is [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone is Nc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is JTVQYNCQTWIEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c23-22(24,25)17-7-5-15(6-8-17)19-20(26)27-13-18(28-19)14-1-3-16(4-2-14)21(30)29-9-11-31-12-10-29/h1-8,13H,9-12H2,(H2,26,27).
What are the key properties of [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 428.41 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 72711191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).