4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate

C88H83Br2N27O13 — CID 161498700

IUPAC4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate
SMILESCC(=O)OCc1ccc(-c2nnc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)cnc3N)o2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CBr)cc4)o3)n2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CO)cc4)o3)n2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)NN)n2)cc1.COC(=O)c1nc(Br)cnc1N
InChIInChI=1S/C24H22N6O4.C22H19BrN6O2.C22H20N6O3.C14H16N6O2.C6H6BrN3O2/c1-14(31)33-13-15-4-6-17(7-5-15)22-28-29-23(34-22)20-21(25)26-12-19(27-20)16-8-10-18(11-9-16)24(32)30(2)3;1-29(2)22(30)16-9-7-14(8-10-16)17-12-25-19(24)18(26-17)21-28-27-20(31-21)15-5-3-13(11-23)4-6-15;1-28(2)22(30)16-9-7-14(8-10-16)17-11-24-19(23)18(25-17)21-27-26-20(31-21)15-5-3-13(12-29)4-6-15;1-20(2)14(22)9-5-3-8(4-6-9)10-7-17-12(15)11(18-10)13(21)19-16;1-12-6(11)4-5(8)9-2-3(7)10-4/h4-12H,13H2,1-3H3,(H2,25,26);3-10,12H,11H2,1-2H3,(H2,24,25);3-11,29H,12H2,1-2H3,(H2,23,24);3-7H,16H2,1-2H3,(H2,15,17)(H,19,21);2H,1H3,(H2,8,9)
InChIKeyWGOCBCVGXSNHMT-UHFFFAOYSA-N
MW1886.62 g/mol
LogP10.52
Rot. Bonds20

About 4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate

4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate (PubChem CID 161498700) has the molecular formula C88H83Br2N27O13 and a molecular weight of 1886.62 g/mol. Its IUPAC name is 4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate.

Molecular Properties

Compound Name4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate
PubChem CID161498700
Molecular FormulaC88H83Br2N27O13
Molecular Weight1886.62 g/mol
Exact Mass1883.50
IUPAC Name4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate
SMILESCC(=O)OCc1ccc(-c2nnc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)cnc3N)o2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CBr)cc4)o3)n2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CO)cc4)o3)n2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)NN)n2)cc1.COC(=O)c1nc(Br)cnc1N
InChIInChI=1S/C24H22N6O4.C22H19BrN6O2.C22H20N6O3.C14H16N6O2.C6H6BrN3O2/c1-14(31)33-13-15-4-6-17(7-5-15)22-28-29-23(34-22)20-21(25)26-12-19(27-20)16-8-10-18(11-9-16)24(32)30(2)3;1-29(2)22(30)16-9-7-14(8-10-16)17-12-25-19(24)18(26-17)21-28-27-20(31-21)15-5-3-13(11-23)4-6-15;1-28(2)22(30)16-9-7-14(8-10-16)17-11-24-19(23)18(25-17)21-27-26-20(31-21)15-5-3-13(12-29)4-6-15;1-20(2)14(22)9-5-3-8(4-6-9)10-7-17-12(15)11(18-10)13(21)19-16;1-12-6(11)4-5(8)9-2-3(7)10-4/h4-12H,13H2,1-3H3,(H2,25,26);3-10,12H,11H2,1-2H3,(H2,24,25);3-11,29H,12H2,1-2H3,(H2,23,24);3-7H,16H2,1-2H3,(H2,15,17)(H,19,21);2H,1H3,(H2,8,9)
InChIKeyWGOCBCVGXSNHMT-UHFFFAOYSA-N
XLogP10.52
TPSA584.95 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds20
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001886.62
LogP ≤ 510.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate?
The IUPAC name of 4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate (CID 161498700) is 4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate.
What is the SMILES notation for 4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate?
The canonical SMILES for 4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate is CC(=O)OCc1ccc(-c2nnc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)cnc3N)o2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CBr)cc4)o3)n2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CO)cc4)o3)n2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)NN)n2)cc1.COC(=O)c1nc(Br)cnc1N.
What is the InChIKey of 4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate?
The InChIKey is WGOCBCVGXSNHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4.C22H19BrN6O2.C22H20N6O3.C14H16N6O2.C6H6BrN3O2/c1-14(31)33-13-15-4-6-17(7-5-15)22-28-29-23(34-22)20-21(25)26-12-19(27-20)16-8-10-18(11-9-16)24(32)30(2)3;1-29(2)22(30)16-9-7-14(8-10-16)17-12-25-19(24)18(26-17)21-28-27-20(31-21)15-5-3-13(11-23)4-6-15;1-28(2)22(30)16-9-7-14(8-10-16)17-11-24-19(23)18(25-17)21-27-26-20(31-21)15-5-3-13(12-29)4-6-15;1-20(2)14(22)9-5-3-8(4-6-9)10-7-17-12(15)11(18-10)13(21)19-16;1-12-6(11)4-5(8)9-2-3(7)10-4/h4-12H,13H2,1-3H3,(H2,25,26);3-10,12H,11H2,1-2H3,(H2,24,25);3-11,29H,12H2,1-2H3,(H2,23,24);3-7H,16H2,1-2H3,(H2,15,17)(H,19,21);2H,1H3,(H2,8,9).
What are the key properties of 4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate?
4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate has a molecular weight of 1886.62 g/mol, XLogP of 10.52, 20 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;[4-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate is sourced from PubChem (CID 161498700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).