[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone

C22H18F4N4O2 — CID 90314816

IUPAC[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESNc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCOC(C(F)(F)F)C3)cc2F)cn1
InChIInChI=1S/C22H18F4N4O2/c23-17-9-13(5-6-16(17)18-10-29-20(27)11-28-18)14-3-1-2-4-15(14)21(31)30-7-8-32-19(12-30)22(24,25)26/h1-6,9-11,19H,7-8,12H2,(H2,27,29)
InChIKeyFERLBPKKWHCKGY-UHFFFAOYSA-N
MW446.40 g/mol
LogP3.94
Rot. Bonds3

About [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone

[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 90314816) has the molecular formula C22H18F4N4O2 and a molecular weight of 446.40 g/mol. Its IUPAC name is [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID90314816
Molecular FormulaC22H18F4N4O2
Molecular Weight446.40 g/mol
Exact Mass446.14
IUPAC Name[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESNc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCOC(C(F)(F)F)C3)cc2F)cn1
InChIInChI=1S/C22H18F4N4O2/c23-17-9-13(5-6-16(17)18-10-29-20(27)11-28-18)14-3-1-2-4-15(14)21(31)30-7-8-32-19(12-30)22(24,25)26/h1-6,9-11,19H,7-8,12H2,(H2,27,29)
InChIKeyFERLBPKKWHCKGY-UHFFFAOYSA-N
XLogP3.94
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 90314816) is [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCOC(C(F)(F)F)C3)cc2F)cn1.
What is the InChIKey of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is FERLBPKKWHCKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O2/c23-17-9-13(5-6-16(17)18-10-29-20(27)11-28-18)14-3-1-2-4-15(14)21(31)30-7-8-32-19(12-30)22(24,25)26/h1-6,9-11,19H,7-8,12H2,(H2,27,29).
What are the key properties of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 446.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 90314816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).