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

C87H99BrN26O12S — CID 161121322

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

3-(1H-benzimidazol-2-yl)-5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;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 161121322) has the molecular formula C87H99BrN26O12S and a molecular weight of 1812.89 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;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: 3-(1H-benzimidazol-2-yl)-5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;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: 161121322
• Molecular Formula: C87H99BrN26O12S
• Molecular Weight: 1812.89 g/mol
• Exact Mass: 1810.68
• IUPAC Name: 3-(1H-benzimidazol-2-yl)-5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;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.CC(C)(C)OC(=O)N1CC=C(c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)CC1.CCS(=O)(=O)N1CC=C(c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)CC1.COC(=O)c1nccnc1N.Nc1ncc(C2=CCNCC2)nc1-c1nc2ccccc2[nH]1
• InChI: InChI=1S/C26H32BrN5O6.C21H24N6O2.C18H20N6O2S.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;1-21(2,3)29-20(28)27-10-8-13(9-11-27)16-12-23-18(22)17(24-16)19-25-14-6-4-5-7-15(14)26-19;1-2-27(25,26)24-9-7-12(8-10-24)15-11-20-17(19)16(21-15)18-22-13-5-3-4-6-14(13)23-18;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;4-8,12H,9-11H2,1-3H3,(H2,22,23)(H,25,26);3-7,11H,2,8-10H2,1H3,(H2,19,20)(H,22,23);1-5,9,18H,6-8H2,(H2,17,19)(H,21,22);2-3H,1H3,(H2,7,9)
• InChIKey: UKZIXKOMVPNHDK-UHFFFAOYSA-N
• XLogP: 14.21
• TPSA: 524.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 11
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1812.89
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;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 3-(1H-benzimidazol-2-yl)-5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate (CID 161121322) is 3-(1H-benzimidazol-2-yl)-5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;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 3-(1H-benzimidazol-2-yl)-5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;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 3-(1H-benzimidazol-2-yl)-5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;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.CC(C)(C)OC(=O)N1CC=C(c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)CC1.CCS(=O)(=O)N1CC=C(c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)CC1.COC(=O)c1nccnc1N.Nc1ncc(C2=CCNCC2)nc1-c1nc2ccccc2[nH]1.

What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;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 UKZIXKOMVPNHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32BrN5O6.C21H24N6O2.C18H20N6O2S.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;1-21(2,3)29-20(28)27-10-8-13(9-11-27)16-12-23-18(22)17(24-16)19-25-14-6-4-5-7-15(14)26-19;1-2-27(25,26)24-9-7-12(8-10-24)15-11-20-17(19)16(21-15)18-22-13-5-3-4-6-14(13)23-18;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;4-8,12H,9-11H2,1-3H3,(H2,22,23)(H,25,26);3-7,11H,2,8-10H2,1H3,(H2,19,20)(H,22,23);1-5,9,18H,6-8H2,(H2,17,19)(H,21,22);2-3H,1H3,(H2,7,9).

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

3-(1H-benzimidazol-2-yl)-5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;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 1812.89 g/mol, XLogP of 14.21, 11 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-2-yl)-5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine;tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;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 161121322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).