5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine

C62H35Br4Cl4F10N19 — CID 160828326

IUPAC5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2n1.Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2n1.Fc1cccc(Cl)c1-c1cc2nc(Br)cnc2[nH]1.Nc1ncc(Br)nc1Br.Nc1ncc(Br)nc1C#Cc1c(F)cccc1Cl
InChIInChI=1S/2C17H10ClF4N5.2C12H6BrClFN3.C4H3Br2N3/c2*1-27-13(6-14(26-27)17(20,21)22)12-7-23-16-11(24-12)5-10(25-16)15-8(18)3-2-4-9(15)19;13-10-5-16-12-9(17-10)4-8(18-12)11-6(14)2-1-3-7(11)15;13-11-6-17-12(16)10(18-11)5-4-7-8(14)2-1-3-9(7)15;5-2-1-8-4(7)3(6)9-2/h2*2-7H,1H3,(H,23,25);1-5H,(H,16,18);1-3,6H,(H2,16,17);1H,(H2,7,8)
InChIKeySGLYKBCBJOVTBX-UHFFFAOYSA-N
MW1697.50 g/mol
LogP18.45
Rot. Bonds5

About 5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine

5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine (PubChem CID 160828326) has the molecular formula C62H35Br4Cl4F10N19 and a molecular weight of 1697.50 g/mol. Its IUPAC name is 5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine
PubChem CID160828326
Molecular FormulaC62H35Br4Cl4F10N19
Molecular Weight1697.50 g/mol
Exact Mass1690.87
IUPAC Name5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2n1.Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2n1.Fc1cccc(Cl)c1-c1cc2nc(Br)cnc2[nH]1.Nc1ncc(Br)nc1Br.Nc1ncc(Br)nc1C#Cc1c(F)cccc1Cl
InChIInChI=1S/2C17H10ClF4N5.2C12H6BrClFN3.C4H3Br2N3/c2*1-27-13(6-14(26-27)17(20,21)22)12-7-23-16-11(24-12)5-10(25-16)15-8(18)3-2-4-9(15)19;13-10-5-16-12-9(17-10)4-8(18-12)11-6(14)2-1-3-7(11)15;13-11-6-17-12(16)10(18-11)5-4-7-8(14)2-1-3-9(7)15;5-2-1-8-4(7)3(6)9-2/h2*2-7H,1H3,(H,23,25);1-5H,(H,16,18);1-3,6H,(H2,16,17);1H,(H2,7,8)
InChIKeySGLYKBCBJOVTBX-UHFFFAOYSA-N
XLogP18.45
TPSA263.95 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001697.50
LogP ≤ 518.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine with MolForge

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Related Compounds

2-fluoro-4-[6-[2-[(3-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-[2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]aniline
CID 132035489
4-[6-[2-[(2-chloroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,5-difluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035490
4-amino-6-[[(1S)-1-[3-chloro-6-[3-[6-[[(1R)-1-[3-chloro-6-[3-[6-[[(1S)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]-9H-purin-8-yl]phenyl]imidazo[1,2-b]pyridazin-7-yl]propyl]amino]-9H-purin-8-yl]-5-fluorophenyl]imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 138602694
3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
CID 145034066
3-[4-[(1E)-1-(4,4-difluoropiperidin-1-yl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 145034971
N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 157337387
5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 157562477
5-bromo-3-(2-cyclohexylethynyl)pyrazin-2-amine;2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine;bis(6-cyclohexyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine
CID 157859956
6-(4-bromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-chloro-3-fluorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(4,5-dichloro-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine
CID 157898960
5-Amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine
CID 157934794
2-Tert-butyl-6-chloroimidazo[1,2-b]pyridazine;bis(2-tert-butyl-8-chloro-6-methylimidazo[1,2-a]pyridine);3-tert-butyl-6-chloro-2-methylimidazo[1,2-b]pyridazine;2-tert-butyl-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-tert-butyl-3-chloropyrazolo[1,5-a]pyrimidine;2-tert-butyl-5-chloropyrazolo[1,5-a]pyrimidine;3-tert-butyl-5-chloropyrazolo[1,5-a]pyrimidine;2-tert-butylimidazo[1,2-a]pyrazine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;3-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 157987566
N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(4,5-dimethyl-6-phenyl-2-pyridinyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;molecular hydrogen
CID 158111940

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine?
The IUPAC name of 5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine (CID 160828326) is 5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine?
The canonical SMILES for 5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine is Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2n1.Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2n1.Fc1cccc(Cl)c1-c1cc2nc(Br)cnc2[nH]1.Nc1ncc(Br)nc1Br.Nc1ncc(Br)nc1C#Cc1c(F)cccc1Cl.
What is the InChIKey of 5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine?
The InChIKey is SGLYKBCBJOVTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H10ClF4N5.2C12H6BrClFN3.C4H3Br2N3/c2*1-27-13(6-14(26-27)17(20,21)22)12-7-23-16-11(24-12)5-10(25-16)15-8(18)3-2-4-9(15)19;13-10-5-16-12-9(17-10)4-8(18-12)11-6(14)2-1-3-7(11)15;13-11-6-17-12(16)10(18-11)5-4-7-8(14)2-1-3-9(7)15;5-2-1-8-4(7)3(6)9-2/h2*2-7H,1H3,(H,23,25);1-5H,(H,16,18);1-3,6H,(H2,16,17);1H,(H2,7,8).
What are the key properties of 5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine?
5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine has a molecular weight of 1697.50 g/mol, XLogP of 18.45, 5 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine is sourced from PubChem (CID 160828326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).