4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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

C68H75BrN20O11 — CID 159290524

About 4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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

4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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 159290524) has the molecular formula C68H75BrN20O11 and a molecular weight of 1428.38 g/mol. Its IUPAC name is 4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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: 4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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: 159290524
• Molecular Formula: C68H75BrN20O11
• Molecular Weight: 1428.38 g/mol
• Exact Mass: 1426.51
• IUPAC Name: 4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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.Nc1ncc(C2=CCN(C(=O)CCC(=O)O)CC2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(C2=CCNCC2)nc1-c1nc2ccccc2[nH]1
• InChI: InChI=1S/C26H32BrN5O6.C20H20N6O3.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;21-19-18(20-24-13-3-1-2-4-14(13)25-20)23-15(11-22-19)12-7-9-26(10-8-12)16(27)5-6-17(28)29;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;1-4,7,11H,5-6,8-10H2,(H2,21,22)(H,24,25)(H,28,29);1-5,9,18H,6-8H2,(H2,17,19)(H,21,22);2-3H,1H3,(H2,7,9)
• InChIKey: LABCWFLOQIYDBL-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 434.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1428.38
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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 4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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 159290524) is 4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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 4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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 4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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.Nc1ncc(C2=CCN(C(=O)CCC(=O)O)CC2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(C2=CCNCC2)nc1-c1nc2ccccc2[nH]1.

What is the InChIKey of 4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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 LABCWFLOQIYDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32BrN5O6.C20H20N6O3.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;21-19-18(20-24-13-3-1-2-4-14(13)25-20)23-15(11-22-19)12-7-9-26(10-8-12)16(27)5-6-17(28)29;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;1-4,7,11H,5-6,8-10H2,(H2,21,22)(H,24,25)(H,28,29);1-5,9,18H,6-8H2,(H2,17,19)(H,21,22);2-3H,1H3,(H2,7,9).

What are the key properties of 4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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?

4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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 1428.38 g/mol, XLogP of 10.62, 10 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanoic acid;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 159290524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).