6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C19H13F3N4 — CID 118094425

IUPAC6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESFC(F)(F)c1ccc(Nc2cncc(-c3cccc4[nH]ccc34)n2)cc1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)12-4-6-13(7-5-12)25-18-11-23-10-17(26-18)14-2-1-3-16-15(14)8-9-24-16/h1-11,24H,(H,25,26)
InChIKeyJESHOYZPMVSCLM-UHFFFAOYSA-N
MW354.34 g/mol
LogP5.39
Rot. Bonds3

About 6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 118094425) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID118094425
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESFC(F)(F)c1ccc(Nc2cncc(-c3cccc4[nH]ccc34)n2)cc1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)12-4-6-13(7-5-12)25-18-11-23-10-17(26-18)14-2-1-3-16-15(14)8-9-24-16/h1-11,24H,(H,25,26)
InChIKeyJESHOYZPMVSCLM-UHFFFAOYSA-N
XLogP5.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.34
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094690
4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole
CID 59107889
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 15952108
7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
CID 45484856
6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 61229555
6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 80920368
6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095116
6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 144848728
6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094327
6-(6-fluoro-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 122578372
3-N-(4-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112965641
6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095062

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 118094425) is 6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is FC(F)(F)c1ccc(Nc2cncc(-c3cccc4[nH]ccc34)n2)cc1.
What is the InChIKey of 6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is JESHOYZPMVSCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c20-19(21,22)12-4-6-13(7-5-12)25-18-11-23-10-17(26-18)14-2-1-3-16-15(14)8-9-24-16/h1-11,24H,(H,25,26).
What are the key properties of 6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 354.34 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 118094425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).