6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine

C108H117N33O2 — CID 158373632

About 6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine

6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 158373632) has the molecular formula C108H117N33O2 and a molecular weight of 1909.35 g/mol. Its IUPAC name is 6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 158373632
• Molecular Formula: C108H117N33O2
• Molecular Weight: 1909.35 g/mol
• Exact Mass: 1908.01
• IUPAC Name: 6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: CCCc1nc(-c2nc3cnc(N4CCN(C)CC4)cc3n2Cc2ccccc2)cn2c(C)nnc12.CCc1nc(-c2nc3cc(C4=NCC(=O)CC4C)ccc3n2Cc2ccccc2)cn2c(C)nnc12.CCc1nc(-c2nc3ccc(N4CCOCC4)cc3n2Cc2ccccc2)cn2c(C)nnc12.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCN(C)CC5)cc4n3Cc3ccccc3)cn12
• InChI: InChI=1S/C28H27N7O.C27H32N10.C27H31N9.C26H27N7O/c1-4-22-28-33-32-18(3)34(28)16-24(30-22)27-31-23-13-20(26-17(2)12-21(36)14-29-26)10-11-25(23)35(27)15-19-8-6-5-7-9-19;1-18(2)29-25-27-33-32-19(3)36(27)17-22(30-25)26-31-21-15-28-24(35-12-10-34(4)11-13-35)14-23(21)37(26)16-20-8-6-5-7-9-20;1-4-8-21-27-32-31-19(2)35(27)18-23(29-21)26-30-22-16-28-25(34-13-11-33(3)12-14-34)15-24(22)36(26)17-20-9-6-5-7-10-20;1-3-21-26-30-29-18(2)32(26)17-23(27-21)25-28-22-10-9-20(31-11-13-34-14-12-31)15-24(22)33(25)16-19-7-5-4-6-8-19/h5-11,13,16-17H,4,12,14-15H2,1-3H3;5-9,14-15,17-18H,10-13,16H2,1-4H3,(H,29,30);5-7,9-10,15-16,18H,4,8,11-14,17H2,1-3H3;4-10,15,17H,3,11-14,16H2,1-2H3
• InChIKey: GUXTWDBRDYSRHE-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 336.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.35
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 158373632) is 6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for 6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for 6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine is CCCc1nc(-c2nc3cnc(N4CCN(C)CC4)cc3n2Cc2ccccc2)cn2c(C)nnc12.CCc1nc(-c2nc3cc(C4=NCC(=O)CC4C)ccc3n2Cc2ccccc2)cn2c(C)nnc12.CCc1nc(-c2nc3ccc(N4CCOCC4)cc3n2Cc2ccccc2)cn2c(C)nnc12.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCN(C)CC5)cc4n3Cc3ccccc3)cn12.

What is the InChIKey of 6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is GUXTWDBRDYSRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O.C27H32N10.C27H31N9.C26H27N7O/c1-4-22-28-33-32-18(3)34(28)16-24(30-22)27-31-23-13-20(26-17(2)12-21(36)14-29-26)10-11-25(23)35(27)15-19-8-6-5-7-9-19;1-18(2)29-25-27-33-32-19(3)36(27)17-22(30-25)26-31-21-15-28-24(35-12-10-34(4)11-13-35)14-23(21)37(26)16-20-8-6-5-7-9-20;1-4-8-21-27-32-31-19(2)35(27)18-23(29-21)26-30-22-16-28-25(34-13-11-33(3)12-14-34)15-24(22)36(26)17-20-9-6-5-7-10-20;1-3-21-26-30-29-18(2)32(26)17-23(27-21)25-28-22-10-9-20(31-11-13-34-14-12-31)15-24(22)33(25)16-19-7-5-4-6-8-19/h5-11,13,16-17H,4,12,14-15H2,1-3H3;5-9,14-15,17-18H,10-13,16H2,1-4H3,(H,29,30);5-7,9-10,15-16,18H,4,8,11-14,17H2,1-3H3;4-10,15,17H,3,11-14,16H2,1-2H3.

What are the key properties of 6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine?

6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 1909.35 g/mol, XLogP of 15.42, 22 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridin-3-one;4-[3-benzyl-2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)benzimidazol-5-yl]morpholine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 158373632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).