3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate

C73H84BrN19O15S4 — CID 157123130

IUPAC3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(NC(=O)C4CCCCC4)o3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)NCC(=S)CC(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)NN)n2)cc1.COC(=O)c1nc(Br)cnc1N
InChIInChI=1S/C31H35N5O6S2.C22H26N6O4S.C14H17N5O3S.C6H6BrN3O2/c1-20(2)44(40,41)24-13-11-22(12-14-24)25-18-33-29(32)28(35-25)30(38)34-17-23(43)16-27(37)26-10-6-7-15-36(26)31(39)42-19-21-8-4-3-5-9-21;1-13(2)33(30,31)16-10-8-14(9-11-16)17-12-24-19(23)18(25-17)21-27-28-22(32-21)26-20(29)15-6-4-3-5-7-15;1-8(2)23(21,22)10-5-3-9(4-6-10)11-7-17-13(15)12(18-11)14(20)19-16;1-12-6(11)4-5(8)9-2-3(7)10-4/h3-5,8-9,11-14,18,20,26H,6-7,10,15-17,19H2,1-2H3,(H2,32,33)(H,34,38);8-13,15H,3-7H2,1-2H3,(H2,23,24)(H,26,28,29);3-8H,16H2,1-2H3,(H2,15,17)(H,19,20);2H,1H3,(H2,8,9)/t26-;;;/m0.../s1
InChIKeyAIFBSDCLUJKRNS-DOTPTTDOSA-N
MW1675.76 g/mol
LogP8.75
Rot. Bonds22

About 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate

3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate (PubChem CID 157123130) has the molecular formula C73H84BrN19O15S4 and a molecular weight of 1675.76 g/mol. Its IUPAC name is 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate.

Molecular Properties

Compound Name3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate
PubChem CID157123130
Molecular FormulaC73H84BrN19O15S4
Molecular Weight1675.76 g/mol
Exact Mass1673.45
IUPAC Name3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(NC(=O)C4CCCCC4)o3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)NCC(=S)CC(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)NN)n2)cc1.COC(=O)c1nc(Br)cnc1N
InChIInChI=1S/C31H35N5O6S2.C22H26N6O4S.C14H17N5O3S.C6H6BrN3O2/c1-20(2)44(40,41)24-13-11-22(12-14-24)25-18-33-29(32)28(35-25)30(38)34-17-23(43)16-27(37)26-10-6-7-15-36(26)31(39)42-19-21-8-4-3-5-9-21;1-13(2)33(30,31)16-10-8-14(9-11-16)17-12-24-19(23)18(25-17)21-27-28-22(32-21)26-20(29)15-6-4-3-5-7-15;1-8(2)23(21,22)10-5-3-9(4-6-10)11-7-17-13(15)12(18-11)14(20)19-16;1-12-6(11)4-5(8)9-2-3(7)10-4/h3-5,8-9,11-14,18,20,26H,6-7,10,15-17,19H2,1-2H3,(H2,32,33)(H,34,38);8-13,15H,3-7H2,1-2H3,(H2,23,24)(H,26,28,29);3-8H,16H2,1-2H3,(H2,15,17)(H,19,20);2H,1H3,(H2,8,9)/t26-;;;/m0.../s1
InChIKeyAIFBSDCLUJKRNS-DOTPTTDOSA-N
XLogP8.75
TPSA534.77 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001675.76
LogP ≤ 58.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate with MolForge

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Related Compounds

3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate
CID 159357859
benzyl (2R)-2-[[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]carbamothioylcarbamoyl]piperidine-1-carboxylate
CID 91292172
3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 159357860
5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
CID 59471649
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472018
5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen
CID 159152834
N'-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine
CID 59472267
[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen
CID 157200636
3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
CID 157338818
benzyl 2-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 4092929
benzyl 2-[[5-[4-(cyclopentanecarbonylamino)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 76582841
benzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 68526332

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate?
The IUPAC name of 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate (CID 157123130) is 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate.
What is the SMILES notation for 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate?
The canonical SMILES for 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(NC(=O)C4CCCCC4)o3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)NCC(=S)CC(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)NN)n2)cc1.COC(=O)c1nc(Br)cnc1N.
What is the InChIKey of 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate?
The InChIKey is AIFBSDCLUJKRNS-DOTPTTDOSA-N. The full InChI is InChI=1S/C31H35N5O6S2.C22H26N6O4S.C14H17N5O3S.C6H6BrN3O2/c1-20(2)44(40,41)24-13-11-22(12-14-24)25-18-33-29(32)28(35-25)30(38)34-17-23(43)16-27(37)26-10-6-7-15-36(26)31(39)42-19-21-8-4-3-5-9-21;1-13(2)33(30,31)16-10-8-14(9-11-16)17-12-24-19(23)18(25-17)21-27-28-22(32-21)26-20(29)15-6-4-3-5-7-15;1-8(2)23(21,22)10-5-3-9(4-6-10)11-7-17-13(15)12(18-11)14(20)19-16;1-12-6(11)4-5(8)9-2-3(7)10-4/h3-5,8-9,11-14,18,20,26H,6-7,10,15-17,19H2,1-2H3,(H2,32,33)(H,34,38);8-13,15H,3-7H2,1-2H3,(H2,23,24)(H,26,28,29);3-8H,16H2,1-2H3,(H2,15,17)(H,19,20);2H,1H3,(H2,8,9)/t26-;;;/m0.../s1.
What are the key properties of 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate?
3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate has a molecular weight of 1675.76 g/mol, XLogP of 8.75, 22 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbohydrazide;N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide;benzyl (2S)-2-[4-[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]-3-sulfanylidenebutanoyl]piperidine-1-carboxylate;methyl 3-amino-6-bromopyrazine-2-carboxylate is sourced from PubChem (CID 157123130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).