[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone

C16H14ClF3N4O2 — CID 109276545

IUPAC[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)cn1)N1CCOCC1
InChIInChI=1S/C16H14ClF3N4O2/c17-12-2-1-10(7-11(12)16(18,19)20)23-14-9-21-13(8-22-14)15(25)24-3-5-26-6-4-24/h1-2,7-9H,3-6H2,(H,22,23)
InChIKeyBXLDAJYSIAONES-UHFFFAOYSA-N
MW386.76 g/mol
LogP3.36
Rot. Bonds3

About [5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone

[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 109276545) has the molecular formula C16H14ClF3N4O2 and a molecular weight of 386.76 g/mol. Its IUPAC name is [5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID109276545
Molecular FormulaC16H14ClF3N4O2
Molecular Weight386.76 g/mol
Exact Mass386.08
IUPAC Name[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)cn1)N1CCOCC1
InChIInChI=1S/C16H14ClF3N4O2/c17-12-2-1-10(7-11(12)16(18,19)20)23-14-9-21-13(8-22-14)15(25)24-3-5-26-6-4-24/h1-2,7-9H,3-6H2,(H,22,23)
InChIKeyBXLDAJYSIAONES-UHFFFAOYSA-N
XLogP3.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153498
N-[4-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]acetamide
CID 109276515
1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone
CID 109276512
[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273671
[4-[4-chloro-3-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68867250
[5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276527
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide
CID 108509700
[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273663
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
CID 109273635
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354983
4-[5-(3-chloro-4-fluoroanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278818
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184666

Frequently Asked Questions

What is the IUPAC name of [5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 109276545) is [5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone is O=C(c1cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)cn1)N1CCOCC1.
What is the InChIKey of [5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is BXLDAJYSIAONES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O2/c17-12-2-1-10(7-11(12)16(18,19)20)23-14-9-21-13(8-22-14)15(25)24-3-5-26-6-4-24/h1-2,7-9H,3-6H2,(H,22,23).
What are the key properties of [5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone?
[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 386.76 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109276545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).