2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline

C146H125Cl2F3N38 — CID 158840478

About 2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline

2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline (PubChem CID 158840478) has the molecular formula C146H125Cl2F3N38 and a molecular weight of 2539.77 g/mol. Its IUPAC name is 2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline.

Molecular Properties

• Compound Name: 2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
• PubChem CID: 158840478
• Molecular Formula: C146H125Cl2F3N38
• Molecular Weight: 2539.77 g/mol
• Exact Mass: 2537.03
• IUPAC Name: 2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
• SMILES: Cc1cc2c(nc(CCc3nc4ccccn4n3)n2C)c2ccccc12.Cc1cc2ccccc2c2nc(CCc3nc4ccccn4n3)n(C)c12.Cc1ccc(C(F)(F)F)c2nc(CCc3nc4c5ccccc5ccc4n3C)nn12.Cc1ccc(Cl)c2nc(CCc3nc4c5ccccc5ccc4n3C)nn12.Cc1ccc(Cl)c2nc(CCc3nc4c5ccccc5ccn4n3)nn12.Cc1cccc2nc(CCc3nc4n(n3)CCc3ccccc3-4)nn12.Cn1c(CCc2nc3ccc4ncccc4n3n2)nc2c3ccccc3ccc21
• InChI: InChI=1S/C23H18N6.C22H18F3N5.C21H18ClN5.2C21H19N5.C19H15ClN6.C19H18N6/c1-28-19-10-8-15-5-2-3-6-16(15)23(19)26-21(28)13-11-20-25-22-12-9-17-18(29(22)27-20)7-4-14-24-17;1-13-7-9-16(22(23,24)25)21-26-18(28-30(13)21)11-12-19-27-20-15-6-4-3-5-14(15)8-10-17(20)29(19)2;1-13-7-9-16(22)21-23-18(25-27(13)21)11-12-19-24-20-15-6-4-3-5-14(15)8-10-17(20)26(19)2;1-14-13-17-21(16-8-4-3-7-15(14)16)23-19(25(17)2)11-10-18-22-20-9-5-6-12-26(20)24-18;1-14-13-15-7-3-4-8-16(15)20-21(14)25(2)18(23-20)11-10-17-22-19-9-5-6-12-26(19)24-17;1-12-6-7-15(20)19-22-17(24-26(12)19)9-8-16-21-18-14-5-3-2-4-13(14)10-11-25(18)23-16;1-13-5-4-8-18-20-16(23-25(13)18)9-10-17-21-19-15-7-3-2-6-14(15)11-12-24(19)22-17/h2-10,12,14H,11,13H2,1H3;3-10H,11-12H2,1-2H3;3-10H,11-12H2,1-2H3;2*3-9,12-13H,10-11H2,1-2H3;2-7,10-11H,8-9H2,1H3;2-8H,9-12H2,1H3
• InChIKey: IYEDFHZUPPKZRA-UHFFFAOYSA-N
• XLogP: 27.54
• TPSA: 374.22 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2539.77
LogP ≤ 5	27.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline?

The IUPAC name of 2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline (CID 158840478) is 2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline.

What is the SMILES notation for 2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline?

The canonical SMILES for 2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline is Cc1cc2c(nc(CCc3nc4ccccn4n3)n2C)c2ccccc12.Cc1cc2ccccc2c2nc(CCc3nc4ccccn4n3)n(C)c12.Cc1ccc(C(F)(F)F)c2nc(CCc3nc4c5ccccc5ccc4n3C)nn12.Cc1ccc(Cl)c2nc(CCc3nc4c5ccccc5ccc4n3C)nn12.Cc1ccc(Cl)c2nc(CCc3nc4c5ccccc5ccn4n3)nn12.Cc1cccc2nc(CCc3nc4n(n3)CCc3ccccc3-4)nn12.Cn1c(CCc2nc3ccc4ncccc4n3n2)nc2c3ccccc3ccc21.

What is the InChIKey of 2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline?

The InChIKey is IYEDFHZUPPKZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6.C22H18F3N5.C21H18ClN5.2C21H19N5.C19H15ClN6.C19H18N6/c1-28-19-10-8-15-5-2-3-6-16(15)23(19)26-21(28)13-11-20-25-22-12-9-17-18(29(22)27-20)7-4-14-24-17;1-13-7-9-16(22(23,24)25)21-26-18(28-30(13)21)11-12-19-27-20-15-6-4-3-5-14(15)8-10-17(20)29(19)2;1-13-7-9-16(22)21-23-18(25-27(13)21)11-12-19-24-20-15-6-4-3-5-14(15)8-10-17(20)26(19)2;1-14-13-17-21(16-8-4-3-7-15(14)16)23-19(25(17)2)11-10-18-22-20-9-5-6-12-26(20)24-18;1-14-13-15-7-3-4-8-16(15)20-21(14)25(2)18(23-20)11-10-17-22-19-9-5-6-12-26(19)24-17;1-12-6-7-15(20)19-22-17(24-26(12)19)9-8-16-21-18-14-5-3-2-4-13(14)10-11-25(18)23-16;1-13-5-4-8-18-20-16(23-25(13)18)9-10-17-21-19-15-7-3-2-6-14(15)11-12-24(19)22-17/h2-10,12,14H,11,13H2,1H3;3-10H,11-12H2,1-2H3;3-10H,11-12H2,1-2H3;2*3-9,12-13H,10-11H2,1-2H3;2-7,10-11H,8-9H2,1H3;2-8H,9-12H2,1H3.

What are the key properties of 2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline?

2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline has a molecular weight of 2539.77 g/mol, XLogP of 27.54, 21 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline is sourced from PubChem (CID 158840478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).