3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine

C14H11BrClF3N4 — CID 86659426

IUPAC3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine
SMILESFC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(Br)nc21
InChIInChI=1S/C14H11BrClF3N4/c15-11-6-21-12-13(22-11)23(4-3-20-12)7-8-5-9(16)1-2-10(8)14(17,18)19/h1-2,5-6H,3-4,7H2,(H,20,21)
InChIKeyWBRIZTXANDIEGP-UHFFFAOYSA-N
MW407.62 g/mol
LogP4.34
Rot. Bonds2

About 3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine

3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine (PubChem CID 86659426) has the molecular formula C14H11BrClF3N4 and a molecular weight of 407.62 g/mol. Its IUPAC name is 3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine.

Molecular Properties

Compound Name3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine
PubChem CID86659426
Molecular FormulaC14H11BrClF3N4
Molecular Weight407.62 g/mol
Exact Mass405.98
IUPAC Name3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine
SMILESFC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(Br)nc21
InChIInChI=1S/C14H11BrClF3N4/c15-11-6-21-12-13(22-11)23(4-3-20-12)7-8-5-9(16)1-2-10(8)14(17,18)19/h1-2,5-6H,3-4,7H2,(H,20,21)
InChIKeyWBRIZTXANDIEGP-UHFFFAOYSA-N
XLogP4.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.62
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-N-(naphthalen-1-ylmethyl)methanamine
CID 143576078
[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 70673156
2-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(naphthalen-1-ylmethyl)benzamide
CID 67091756
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
CID 141188195
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 167531096
[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 58327791
2-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 67092229
[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 58327869
4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(2,2-diphenylethyl)benzamide
CID 58327922
[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 58327864
4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 58327890
[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 58327946

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine?
The IUPAC name of 3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine (CID 86659426) is 3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine.
What is the SMILES notation for 3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine?
The canonical SMILES for 3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine is FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(Br)nc21.
What is the InChIKey of 3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine?
The InChIKey is WBRIZTXANDIEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF3N4/c15-11-6-21-12-13(22-11)23(4-3-20-12)7-8-5-9(16)1-2-10(8)14(17,18)19/h1-2,5-6H,3-4,7H2,(H,20,21).
What are the key properties of 3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine?
3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine has a molecular weight of 407.62 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine is sourced from PubChem (CID 86659426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).