[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine

C72H79BBrN27O5S — CID 159815658

IUPAC[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine
SMILESCB(O)N1CC=C(c2cnc(N)c(-c3nc4ccc(C)cc4[nH]3)n2)CC1.COC(=O)c1nccnc1N.Cc1ccc2nc(-c3nc(Br)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C4=CCN(S(=O)(=O)N(C)C)CC4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C4=CCNCC4)cnc3N)[nH]c2c1
InChIInChI=1S/C19H23N7O2S.C18H21BN6O.C17H18N6.C12H10BrN5.C6H7N3O2/c1-12-4-5-14-15(10-12)24-19(23-14)17-18(20)21-11-16(22-17)13-6-8-26(9-7-13)29(27,28)25(2)3;1-11-3-4-13-14(9-11)24-18(23-13)16-17(20)21-10-15(22-16)12-5-7-25(8-6-12)19(2)26;1-10-2-3-12-13(8-10)23-17(22-12)15-16(18)20-9-14(21-15)11-4-6-19-7-5-11;1-6-2-3-7-8(4-6)17-12(16-7)10-11(14)15-5-9(13)18-10;1-11-6(10)4-5(7)9-3-2-8-4/h4-6,10-11H,7-9H2,1-3H3,(H2,20,21)(H,23,24);3-5,9-10,26H,6-8H2,1-2H3,(H2,20,21)(H,23,24);2-4,8-9,19H,5-7H2,1H3,(H2,18,20)(H,22,23);2-5H,1H3,(H2,14,15)(H,16,17);2-3H,1H3,(H2,7,9)
InChIKeyNLOXJUCDXQLEPN-UHFFFAOYSA-N
MW1525.39 g/mol
LogP8.72
Rot. Bonds11

About [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine

[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine (PubChem CID 159815658) has the molecular formula C72H79BBrN27O5S and a molecular weight of 1525.39 g/mol. Its IUPAC name is [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine
PubChem CID159815658
Molecular FormulaC72H79BBrN27O5S
Molecular Weight1525.39 g/mol
Exact Mass1523.58
IUPAC Name[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine
SMILESCB(O)N1CC=C(c2cnc(N)c(-c3nc4ccc(C)cc4[nH]3)n2)CC1.COC(=O)c1nccnc1N.Cc1ccc2nc(-c3nc(Br)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C4=CCN(S(=O)(=O)N(C)C)CC4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C4=CCNCC4)cnc3N)[nH]c2c1
InChIInChI=1S/C19H23N7O2S.C18H21BN6O.C17H18N6.C12H10BrN5.C6H7N3O2/c1-12-4-5-14-15(10-12)24-19(23-14)17-18(20)21-11-16(22-17)13-6-8-26(9-7-13)29(27,28)25(2)3;1-11-3-4-13-14(9-11)24-18(23-13)16-17(20)21-10-15(22-16)12-5-7-25(8-6-12)19(2)26;1-10-2-3-12-13(8-10)23-17(22-12)15-16(18)20-9-14(21-15)11-4-6-19-7-5-11;1-6-2-3-7-8(4-6)17-12(16-7)10-11(14)15-5-9(13)18-10;1-11-6(10)4-5(7)9-3-2-8-4/h4-6,10-11H,7-9H2,1-3H3,(H2,20,21)(H,23,24);3-5,9-10,26H,6-8H2,1-2H3,(H2,20,21)(H,23,24);2-4,8-9,19H,5-7H2,1H3,(H2,18,20)(H,22,23);2-5H,1H3,(H2,14,15)(H,16,17);2-3H,1H3,(H2,7,9)
InChIKeyNLOXJUCDXQLEPN-UHFFFAOYSA-N
XLogP8.72
TPSA476.14 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds11
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001525.39
LogP ≤ 58.72
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine?
The IUPAC name of [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine (CID 159815658) is [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine.
What is the SMILES notation for [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine?
The canonical SMILES for [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine is CB(O)N1CC=C(c2cnc(N)c(-c3nc4ccc(C)cc4[nH]3)n2)CC1.COC(=O)c1nccnc1N.Cc1ccc2nc(-c3nc(Br)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C4=CCN(S(=O)(=O)N(C)C)CC4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C4=CCNCC4)cnc3N)[nH]c2c1.
What is the InChIKey of [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine?
The InChIKey is NLOXJUCDXQLEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2S.C18H21BN6O.C17H18N6.C12H10BrN5.C6H7N3O2/c1-12-4-5-14-15(10-12)24-19(23-14)17-18(20)21-11-16(22-17)13-6-8-26(9-7-13)29(27,28)25(2)3;1-11-3-4-13-14(9-11)24-18(23-13)16-17(20)21-10-15(22-16)12-5-7-25(8-6-12)19(2)26;1-10-2-3-12-13(8-10)23-17(22-12)15-16(18)20-9-14(21-15)11-4-6-19-7-5-11;1-6-2-3-7-8(4-6)17-12(16-7)10-11(14)15-5-9(13)18-10;1-11-6(10)4-5(7)9-3-2-8-4/h4-6,10-11H,7-9H2,1-3H3,(H2,20,21)(H,23,24);3-5,9-10,26H,6-8H2,1-2H3,(H2,20,21)(H,23,24);2-4,8-9,19H,5-7H2,1H3,(H2,18,20)(H,22,23);2-5H,1H3,(H2,14,15)(H,16,17);2-3H,1H3,(H2,7,9).
What are the key properties of [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine?
[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine has a molecular weight of 1525.39 g/mol, XLogP of 8.72, 11 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 159815658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).