3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile

C95H86Br4N30O12S5 — CID 159902745

IUPAC3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile
SMILESCc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3C#N)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCNCC4)cc3C#N)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(Br)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(Br)cnc2N)o1.Cc1ccsc1C(=O)CNC(=O)c1nc(Br)cnc1N.Nc1ncc(Br)nc1C(=O)O
InChIInChI=1S/C30H31N7O4S.C25H23N7O2S.C12H11BrN4O2S.C12H9BrN4OS.C11H8BrN5OS.C5H4BrN3O2/c1-18-9-14-42-25(18)27-35-34-26(40-27)24-19(2)32-17-23(33-24)22-8-7-20(15-21(22)16-31)28(38)36-10-6-11-37(13-12-36)29(39)41-30(3,4)5;1-15-6-11-35-22(15)24-31-30-23(34-24)21-16(2)28-14-20(29-21)19-5-4-17(12-18(19)13-26)25(33)32-9-3-7-27-8-10-32;1-6-2-3-20-10(6)7(18)4-16-12(19)9-11(14)15-5-8(13)17-9;1-6-3-4-19-10(6)12-17-16-11(18-12)9-7(2)14-5-8(13)15-9;1-5-2-3-19-8(5)11-17-16-10(18-11)7-9(13)14-4-6(12)15-7;6-2-1-8-4(7)3(9-2)5(10)11/h7-9,14-15,17H,6,10-13H2,1-5H3;4-6,11-12,14,27H,3,7-10H2,1-2H3;2-3,5H,4H2,1H3,(H2,14,15)(H,16,19);3-5H,1-2H3;2-4H,1H3,(H2,13,14);1H,(H2,7,8)(H,10,11)
InChIKeyNWEBTLVSBCSXAQ-UHFFFAOYSA-N
MW2319.88 g/mol
LogP18.21
Rot. Bonds17

About 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile

3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile (PubChem CID 159902745) has the molecular formula C95H86Br4N30O12S5 and a molecular weight of 2319.88 g/mol. Its IUPAC name is 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile
PubChem CID159902745
Molecular FormulaC95H86Br4N30O12S5
Molecular Weight2319.88 g/mol
Exact Mass2314.24
IUPAC Name3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile
SMILESCc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3C#N)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCNCC4)cc3C#N)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(Br)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(Br)cnc2N)o1.Cc1ccsc1C(=O)CNC(=O)c1nc(Br)cnc1N.Nc1ncc(Br)nc1C(=O)O
InChIInChI=1S/C30H31N7O4S.C25H23N7O2S.C12H11BrN4O2S.C12H9BrN4OS.C11H8BrN5OS.C5H4BrN3O2/c1-18-9-14-42-25(18)27-35-34-26(40-27)24-19(2)32-17-23(33-24)22-8-7-20(15-21(22)16-31)28(38)36-10-6-11-37(13-12-36)29(39)41-30(3,4)5;1-15-6-11-35-22(15)24-31-30-23(34-24)21-16(2)28-14-20(29-21)19-5-4-17(12-18(19)13-26)25(33)32-9-3-7-27-8-10-32;1-6-2-3-20-10(6)7(18)4-16-12(19)9-11(14)15-5-8(13)17-9;1-6-3-4-19-10(6)12-17-16-11(18-12)9-7(2)14-5-8(13)15-9;1-5-2-3-19-8(5)11-17-16-10(18-11)7-9(13)14-4-6(12)15-7;6-2-1-8-4(7)3(9-2)5(10)11/h7-9,14-15,17H,6,10-13H2,1-5H3;4-6,11-12,14,27H,3,7-10H2,1-2H3;2-3,5H,4H2,1H3,(H2,14,15)(H,16,19);3-5H,1-2H3;2-4H,1H3,(H2,13,14);1H,(H2,7,8)(H,10,11)
InChIKeyNWEBTLVSBCSXAQ-UHFFFAOYSA-N
XLogP18.21
TPSA601.66 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds17
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002319.88
LogP ≤ 518.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Analyze 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile?
The IUPAC name of 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile (CID 159902745) is 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile.
What is the SMILES notation for 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile?
The canonical SMILES for 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile is Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3C#N)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCNCC4)cc3C#N)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(Br)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(Br)cnc2N)o1.Cc1ccsc1C(=O)CNC(=O)c1nc(Br)cnc1N.Nc1ncc(Br)nc1C(=O)O.
What is the InChIKey of 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile?
The InChIKey is NWEBTLVSBCSXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O4S.C25H23N7O2S.C12H11BrN4O2S.C12H9BrN4OS.C11H8BrN5OS.C5H4BrN3O2/c1-18-9-14-42-25(18)27-35-34-26(40-27)24-19(2)32-17-23(33-24)22-8-7-20(15-21(22)16-31)28(38)36-10-6-11-37(13-12-36)29(39)41-30(3,4)5;1-15-6-11-35-22(15)24-31-30-23(34-24)21-16(2)28-14-20(29-21)19-5-4-17(12-18(19)13-26)25(33)32-9-3-7-27-8-10-32;1-6-2-3-20-10(6)7(18)4-16-12(19)9-11(14)15-5-8(13)17-9;1-6-3-4-19-10(6)12-17-16-11(18-12)9-7(2)14-5-8(13)15-9;1-5-2-3-19-8(5)11-17-16-10(18-11)7-9(13)14-4-6(12)15-7;6-2-1-8-4(7)3(9-2)5(10)11/h7-9,14-15,17H,6,10-13H2,1-5H3;4-6,11-12,14,27H,3,7-10H2,1-2H3;2-3,5H,4H2,1H3,(H2,14,15)(H,16,19);3-5H,1-2H3;2-4H,1H3,(H2,13,14);1H,(H2,7,8)(H,10,11).
What are the key properties of 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile?
3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile has a molecular weight of 2319.88 g/mol, XLogP of 18.21, 17 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;5-(1,4-diazepane-1-carbonyl)-2-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzonitrile is sourced from PubChem (CID 159902745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).