[5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone

C18H18ClF3N4O — CID 109288746

IUPAC[5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc(Nc3cc(C(F)(F)F)ccc3Cl)cn2)C1
InChIInChI=1S/C18H18ClF3N4O/c1-11-3-2-6-26(10-11)17(27)15-8-24-16(9-23-15)25-14-7-12(18(20,21)22)4-5-13(14)19/h4-5,7-9,11H,2-3,6,10H2,1H3,(H,24,25)
InChIKeyYNERBDMQDJXFLZ-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.76
Rot. Bonds3

About [5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone

[5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109288746) has the molecular formula C18H18ClF3N4O and a molecular weight of 398.82 g/mol. Its IUPAC name is [5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109288746
Molecular FormulaC18H18ClF3N4O
Molecular Weight398.82 g/mol
Exact Mass398.11
IUPAC Name[5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc(Nc3cc(C(F)(F)F)ccc3Cl)cn2)C1
InChIInChI=1S/C18H18ClF3N4O/c1-11-3-2-6-26(10-11)17(27)15-8-24-16(9-23-15)25-14-7-12(18(20,21)22)4-5-13(14)19/h4-5,7-9,11H,2-3,6,10H2,1H3,(H,24,25)
InChIKeyYNERBDMQDJXFLZ-UHFFFAOYSA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288721
5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
CID 109274775
[5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288759
[5-(4-bromo-2-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288760
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288719
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
[6-[2-chloro-5-(trifluoromethyl)anilino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363729
[6-(2,5-dichloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126123
[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275168
[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273671
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
CID 109273635
[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276545

Frequently Asked Questions

What is the IUPAC name of [5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone (CID 109288746) is [5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cnc(Nc3cc(C(F)(F)F)ccc3Cl)cn2)C1.
What is the InChIKey of [5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is YNERBDMQDJXFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O/c1-11-3-2-6-26(10-11)17(27)15-8-24-16(9-23-15)25-14-7-12(18(20,21)22)4-5-13(14)19/h4-5,7-9,11H,2-3,6,10H2,1H3,(H,24,25).
What are the key properties of [5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
[5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 398.82 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109288746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).