3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C111H114Br4N34O20S5 — CID 161179257

About 3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 161179257) has the molecular formula C111H114Br4N34O20S5 and a molecular weight of 2724.30 g/mol. Its IUPAC name is 3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

• Compound Name: 3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• PubChem CID: 161179257
• Molecular Formula: C111H114Br4N34O20S5
• Molecular Weight: 2724.30 g/mol
• Exact Mass: 2718.43
• IUPAC Name: 3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• SMILES: Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3C#N)cnc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o1.Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCNCC4)cc3C#N)cnc2N)o1.Cc1ccsc1-c1nnc(-c2nc(Br)cnc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o1.Cc1ccsc1-c1nnc(-c2nc(Br)cnc2N)o1.Cc1ccsc1C(=O)NNC(=O)c1nc(Br)cnc1N.Nc1ncc(Br)nc1C(=O)O
• InChI: InChI=1S/C39H46N8O8S.C24H22N8O2S.C21H24BrN5O5S.C11H10BrN5O2S.C11H8BrN5OS.C5H4BrN3O2/c1-23-14-19-56-29(23)32-44-43-31(52-32)28-30(47(35(50)54-38(5,6)7)36(51)55-39(8,9)10)41-22-27(42-28)26-13-12-24(20-25(26)21-40)33(48)45-15-11-16-46(18-17-45)34(49)53-37(2,3)4;1-14-5-10-35-20(14)23-31-30-22(34-23)19-21(26)28-13-18(29-19)17-4-3-15(11-16(17)12-25)24(33)32-8-2-6-27-7-9-32;1-11-8-9-33-14(11)17-26-25-16(30-17)13-15(23-10-12(22)24-13)27(18(28)31-20(2,3)4)19(29)32-21(5,6)7;1-5-2-3-20-8(5)11(19)17-16-10(18)7-9(13)14-4-6(12)15-7;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/h12-14,19-20,22H,11,15-18H2,1-10H3;3-5,10-11,13,27H,2,6-9H2,1H3,(H2,26,28);8-10H,1-7H3;2-4H,1H3,(H2,13,14)(H,16,18)(H,17,19);2-4H,1H3,(H2,13,14);1H,(H2,7,8)(H,10,11)
• InChIKey: USFMOTDNEIEXLC-UHFFFAOYSA-N
• XLogP: 21.68
• TPSA: 751.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 51
• Rotatable Bonds: 17
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2724.30
LogP ≤ 5	21.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The IUPAC name of 3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 161179257) is 3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

What is the SMILES notation for 3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The canonical SMILES for 3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3C#N)cnc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o1.Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCNCC4)cc3C#N)cnc2N)o1.Cc1ccsc1-c1nnc(-c2nc(Br)cnc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o1.Cc1ccsc1-c1nnc(-c2nc(Br)cnc2N)o1.Cc1ccsc1C(=O)NNC(=O)c1nc(Br)cnc1N.Nc1ncc(Br)nc1C(=O)O.

What is the InChIKey of 3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The InChIKey is USFMOTDNEIEXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46N8O8S.C24H22N8O2S.C21H24BrN5O5S.C11H10BrN5O2S.C11H8BrN5OS.C5H4BrN3O2/c1-23-14-19-56-29(23)32-44-43-31(52-32)28-30(47(35(50)54-38(5,6)7)36(51)55-39(8,9)10)41-22-27(42-28)26-13-12-24(20-25(26)21-40)33(48)45-15-11-16-46(18-17-45)34(49)53-37(2,3)4;1-14-5-10-35-20(14)23-31-30-22(34-23)19-21(26)28-13-18(29-19)17-4-3-15(11-16(17)12-25)24(33)32-8-2-6-27-7-9-32;1-11-8-9-33-14(11)17-26-25-16(30-17)13-15(23-10-12(22)24-13)27(18(28)31-20(2,3)4)19(29)32-21(5,6)7;1-5-2-3-20-8(5)11(19)17-16-10(18)7-9(13)14-4-6(12)15-7;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/h12-14,19-20,22H,11,15-18H2,1-10H3;3-5,10-11,13,27H,2,6-9H2,1H3,(H2,26,28);8-10H,1-7H3;2-4H,1H3,(H2,13,14)(H,16,18)(H,17,19);2-4H,1H3,(H2,13,14);1H,(H2,7,8)(H,10,11).

What are the key properties of 3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 2724.30 g/mol, XLogP of 21.68, 17 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-bromo-N'-(3-methylthiophene-2-carbonyl)pyrazine-2-carbohydrazide;3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[4-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-3-cyanobenzoyl]-1,4-diazepane-1-carboxylate;tert-butyl N-[5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 161179257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).