2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate

C92H99BrN28O14S2 — CID 159594914

About 2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate

2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate (PubChem CID 159594914) has the molecular formula C92H99BrN28O14S2 and a molecular weight of 1965.02 g/mol. Its IUPAC name is 2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate.

Molecular Properties

• Compound Name: 2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate
• PubChem CID: 159594914
• Molecular Formula: C92H99BrN28O14S2
• Molecular Weight: 1965.02 g/mol
• Exact Mass: 1962.65
• IUPAC Name: 2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate
• SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)nc1-c1nc2ccccc2n1C(=O)OC(C)(C)C.COC(=O)c1nccnc1N.NCCS(=O)(=O)N1CC=C(c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)CC1.Nc1ncc(C2=CCN(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)CC2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(C2=CCNCC2)nc1-c1nc2ccccc2[nH]1
• InChI: InChI=1S/C26H32BrN5O6.C26H23N7O4S.C18H21N7O2S.C16H16N6.C6H7N3O2/c1-24(2,3)36-21(33)31-16-13-11-10-12-15(16)29-20(31)18-19(28-14-17(27)30-18)32(22(34)37-25(4,5)6)23(35)38-26(7,8)9;27-23-22(24-30-19-7-3-4-8-20(19)31-24)29-21(15-28-23)16-9-11-32(12-10-16)38(36,37)14-13-33-25(34)17-5-1-2-6-18(17)26(33)35;19-7-10-28(26,27)25-8-5-12(6-9-25)15-11-21-17(20)16(22-15)18-23-13-3-1-2-4-14(13)24-18;17-15-14(16-21-11-3-1-2-4-12(11)22-16)20-13(9-19-15)10-5-7-18-8-6-10;1-11-6(10)4-5(7)9-3-2-8-4/h10-14H,1-9H3;1-9,15H,10-14H2,(H2,27,28)(H,30,31);1-5,11H,6-10,19H2,(H2,20,21)(H,23,24);1-5,9,18H,6-8H2,(H2,17,19)(H,21,22);2-3H,1H3,(H2,7,9)
• InChIKey: MKSCYFMPZIAMMH-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 595.47 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1965.02
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate?

The IUPAC name of 2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate (CID 159594914) is 2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate.

What is the SMILES notation for 2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate?

The canonical SMILES for 2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)nc1-c1nc2ccccc2n1C(=O)OC(C)(C)C.COC(=O)c1nccnc1N.NCCS(=O)(=O)N1CC=C(c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)CC1.Nc1ncc(C2=CCN(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)CC2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(C2=CCNCC2)nc1-c1nc2ccccc2[nH]1.

What is the InChIKey of 2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate?

The InChIKey is MKSCYFMPZIAMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32BrN5O6.C26H23N7O4S.C18H21N7O2S.C16H16N6.C6H7N3O2/c1-24(2,3)36-21(33)31-16-13-11-10-12-15(16)29-20(31)18-19(28-14-17(27)30-18)32(22(34)37-25(4,5)6)23(35)38-26(7,8)9;27-23-22(24-30-19-7-3-4-8-20(19)31-24)29-21(15-28-23)16-9-11-32(12-10-16)38(36,37)14-13-33-25(34)17-5-1-2-6-18(17)26(33)35;19-7-10-28(26,27)25-8-5-12(6-9-25)15-11-21-17(20)16(22-15)18-23-13-3-1-2-4-14(13)24-18;17-15-14(16-21-11-3-1-2-4-12(11)22-16)20-13(9-19-15)10-5-7-18-8-6-10;1-11-6(10)4-5(7)9-3-2-8-4/h10-14H,1-9H3;1-9,15H,10-14H2,(H2,27,28)(H,30,31);1-5,11H,6-10,19H2,(H2,20,21)(H,23,24);1-5,9,18H,6-8H2,(H2,17,19)(H,21,22);2-3H,1H3,(H2,7,9).

What are the key properties of 2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate?

2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate has a molecular weight of 1965.02 g/mol, XLogP of 11.84, 16 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]isoindole-1,3-dione;5-[1-(2-aminoethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-(1H-benzimidazol-2-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 159594914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).