3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole

C64H76BClN28O7 — CID 157092984

About 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole

3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole (PubChem CID 157092984) has the molecular formula C64H76BClN28O7 and a molecular weight of 1395.77 g/mol. Its IUPAC name is 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole.

Molecular Properties

• Compound Name: 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
• PubChem CID: 157092984
• Molecular Formula: C64H76BClN28O7
• Molecular Weight: 1395.77 g/mol
• Exact Mass: 1394.62
• IUPAC Name: 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
• SMILES: CN1CCC[C@@H]1CN.CN1CCC[C@@H]1CNC(=O)c1nc(-c2ccc3ncn(C)c3c2)c(-n2nccn2)nc1N.COC(=O)c1nc(Cl)c(-n2nccn2)nc1N.Cn1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-n3nccn3)cc21.Cn1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cc21
• InChI: InChI=1S/C21H24N10O.C15H12N8O2.C14H19BN2O2.C8H7ClN6O2.C6H14N2/c1-29-9-3-4-14(29)11-23-21(32)18-19(22)28-20(31-25-7-8-26-31)17(27-18)13-5-6-15-16(10-13)30(2)12-24-15;1-22-7-17-9-3-2-8(6-10(9)22)11-14(23-18-4-5-19-23)21-13(16)12(20-11)15(24)25;1-13(2)14(3,4)19-15(18-13)10-6-7-11-12(8-10)17(5)9-16-11;1-17-8(16)4-6(10)14-7(5(9)13-4)15-11-2-3-12-15;1-8-4-2-3-6(8)5-7/h5-8,10,12,14H,3-4,9,11H2,1-2H3,(H2,22,28)(H,23,32);2-7H,1H3,(H2,16,21)(H,24,25);6-9H,1-5H3;2-3H,1H3,(H2,10,14);6H,2-5,7H2,1H3/t14-;;;;6-/m1...1/s1
• InChIKey: AEWOMPRSTMUMHJ-NCEMSMGGSA-N
• XLogP: 3.90
• TPSA: 444.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1395.77
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole?

The IUPAC name of 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole (CID 157092984) is 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole.

What is the SMILES notation for 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole?

The canonical SMILES for 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole is CN1CCC[C@@H]1CN.CN1CCC[C@@H]1CNC(=O)c1nc(-c2ccc3ncn(C)c3c2)c(-n2nccn2)nc1N.COC(=O)c1nc(Cl)c(-n2nccn2)nc1N.Cn1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-n3nccn3)cc21.Cn1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.

What is the InChIKey of 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole?

The InChIKey is AEWOMPRSTMUMHJ-NCEMSMGGSA-N. The full InChI is InChI=1S/C21H24N10O.C15H12N8O2.C14H19BN2O2.C8H7ClN6O2.C6H14N2/c1-29-9-3-4-14(29)11-23-21(32)18-19(22)28-20(31-25-7-8-26-31)17(27-18)13-5-6-15-16(10-13)30(2)12-24-15;1-22-7-17-9-3-2-8(6-10(9)22)11-14(23-18-4-5-19-23)21-13(16)12(20-11)15(24)25;1-13(2)14(3,4)19-15(18-13)10-6-7-11-12(8-10)17(5)9-16-11;1-17-8(16)4-6(10)14-7(5(9)13-4)15-11-2-3-12-15;1-8-4-2-3-6(8)5-7/h5-8,10,12,14H,3-4,9,11H2,1-2H3,(H2,22,28)(H,23,32);2-7H,1H3,(H2,16,21)(H,24,25);6-9H,1-5H3;2-3H,1H3,(H2,10,14);6H,2-5,7H2,1H3/t14-;;;;6-/m1...1/s1.

What are the key properties of 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole?

3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole has a molecular weight of 1395.77 g/mol, XLogP of 3.90, 12 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(3-methylbenzimidazol-5-yl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole is sourced from PubChem (CID 157092984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).