5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine

C79H68BrIN12O10S5 — CID 157165596

IUPAC5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C#Cc4ccccc4)c3n2)cc1.Cc1ccc(S(=O)(=O)n2cc(C#Cc3ccccc3)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1.Nc1cnc(Br)cn1
InChIInChI=1S/C30H25N3O4S2.C23H19N3O2S.C22H20IN3O4S2.C4H4BrN3/c1-21(2)38(34,35)26-17-13-24(14-18-26)28-19-31-30-29(32-28)25(12-11-23-7-5-4-6-8-23)20-33(30)39(36,37)27-15-9-22(3)10-16-27;1-16(2)29(27,28)20-12-10-18(11-13-20)21-15-25-23-22(26-21)19(14-24-23)9-8-17-6-4-3-5-7-17;1-14(2)31(27,28)17-10-6-16(7-11-17)20-12-24-22-21(25-20)19(23)13-26(22)32(29,30)18-8-4-15(3)5-9-18;5-3-1-8-4(6)2-7-3/h4-10,13-21H,1-3H3;3-7,10-16H,1-2H3,(H,24,25);4-14H,1-3H3;1-2H,(H2,6,8)
InChIKeyAMWGZNNAKDGLIE-UHFFFAOYSA-N
MW1712.63 g/mol
LogP14.68
Rot. Bonds13

About 5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine

5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 157165596) has the molecular formula C79H68BrIN12O10S5 and a molecular weight of 1712.63 g/mol. Its IUPAC name is 5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID157165596
Molecular FormulaC79H68BrIN12O10S5
Molecular Weight1712.63 g/mol
Exact Mass1710.20
IUPAC Name5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C#Cc4ccccc4)c3n2)cc1.Cc1ccc(S(=O)(=O)n2cc(C#Cc3ccccc3)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1.Nc1cnc(Br)cn1
InChIInChI=1S/C30H25N3O4S2.C23H19N3O2S.C22H20IN3O4S2.C4H4BrN3/c1-21(2)38(34,35)26-17-13-24(14-18-26)28-19-31-30-29(32-28)25(12-11-23-7-5-4-6-8-23)20-33(30)39(36,37)27-15-9-22(3)10-16-27;1-16(2)29(27,28)20-12-10-18(11-13-20)21-15-25-23-22(26-21)19(14-24-23)9-8-17-6-4-3-5-7-17;1-14(2)31(27,28)17-10-6-16(7-11-17)20-12-24-22-21(25-20)19(23)13-26(22)32(29,30)18-8-4-15(3)5-9-18;5-3-1-8-4(6)2-7-3/h4-10,13-21H,1-3H3;3-7,10-16H,1-2H3,(H,24,25);4-14H,1-3H3;1-2H,(H2,6,8)
InChIKeyAMWGZNNAKDGLIE-UHFFFAOYSA-N
XLogP14.68
TPSA325.49 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001712.63
LogP ≤ 514.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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Related Compounds

N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,4-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 160264406
7-[1-(benzenesulfonyl)indol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 56592189
N-[[2-(benzenesulfonyl)cyclohexyl]-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)methyl]methanesulfonamide;N-[cyclohexyl(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)methyl]methanesulfonamide
CID 67380628
N-[[2-(benzenesulfonyl)cyclohexyl]-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)methyl]methanesulfonamide;N-[(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)methyl]methanesulfonamide
CID 67380629
ethane;4-fluoro-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide;4-methyl-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide;molecular hydrogen;propane;N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 153606999
[5-(4-Methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-(4-methylsulfanylphenyl)methanamine;[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-(4-methylsulfonylphenyl)methanamine
CID 157063686
N,N-dibenzyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclohexan-1-amine;N,N-dibenzyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexan-1-amine
CID 157531873
2-Bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2-isocyano-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]methanamine;hydrochloride
CID 157572502
4-Ethylbenzenesulfonyl chloride;3-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine;methane;2-phenyl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 157712373
10-Bromo-12-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;12-cyclohexyl-10-(4-methylsulfonylphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 157849358
7-[1-(benzenesulfonyl)indol-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 157923842
12-[4-(Cyclopropylsulfonylmethyl)-1-bicyclo[2.2.2]octanyl]-5-(4-methylphenyl)sulfonyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;12-[4-(cyclopropylsulfonylmethyl)-1-bicyclo[2.2.2]octanyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 158062822

Frequently Asked Questions

What is the IUPAC name of 5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 157165596) is 5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C#Cc4ccccc4)c3n2)cc1.Cc1ccc(S(=O)(=O)n2cc(C#Cc3ccccc3)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1.Nc1cnc(Br)cn1.
What is the InChIKey of 5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is AMWGZNNAKDGLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O4S2.C23H19N3O2S.C22H20IN3O4S2.C4H4BrN3/c1-21(2)38(34,35)26-17-13-24(14-18-26)28-19-31-30-29(32-28)25(12-11-23-7-5-4-6-8-23)20-33(30)39(36,37)27-15-9-22(3)10-16-27;1-16(2)29(27,28)20-12-10-18(11-13-20)21-15-25-23-22(26-21)19(14-24-23)9-8-17-6-4-3-5-7-17;1-14(2)31(27,28)17-10-6-16(7-11-17)20-12-24-22-21(25-20)19(23)13-26(22)32(29,30)18-8-4-15(3)5-9-18;5-3-1-8-4(6)2-7-3/h4-10,13-21H,1-3H3;3-7,10-16H,1-2H3,(H,24,25);4-14H,1-3H3;1-2H,(H2,6,8).
What are the key properties of 5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 1712.63 g/mol, XLogP of 14.68, 13 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 157165596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).