8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide

C117H114F6N24O9S — CID 159347804

About 8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide

8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide (PubChem CID 159347804) has the molecular formula C117H114F6N24O9S and a molecular weight of 2146.41 g/mol. Its IUPAC name is 8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide
• PubChem CID: 159347804
• Molecular Formula: C117H114F6N24O9S
• Molecular Weight: 2146.41 g/mol
• Exact Mass: 2144.88
• IUPAC Name: 8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide
• SMILES: CNC(=O)c1cncc(-c2ccc(CCc3c(F)cccc3OC)n3cnnc23)c1.COc1cccc(F)c1CCc1ccc(-c2ccc(C(=O)N(C)C)cc2F)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(=O)(=O)C3CCNCC3)nc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cnccc2F)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(N3CCN(C)CC3C)nc2)c2nncn12
• InChI: InChI=1S/C26H30N6O.C25H26FN5O3S.C24H22F2N4O2.C22H20FN5O2.C20H16F2N4O/c1-19-17-30(2)14-15-31(19)25-13-9-21(16-27-25)23-12-11-22(32-18-28-29-26(23)32)10-8-20-6-4-5-7-24(20)33-3;1-34-23-4-2-3-22(26)21(23)9-7-18-6-8-20(25-30-29-16-31(18)25)17-5-10-24(28-15-17)35(32,33)19-11-13-27-14-12-19;1-29(2)24(31)15-7-10-17(21(26)13-15)18-11-8-16(30-14-27-28-23(18)30)9-12-19-20(25)5-4-6-22(19)32-3;1-24-22(29)15-10-14(11-25-12-15)17-8-6-16(28-13-26-27-21(17)28)7-9-18-19(23)4-3-5-20(18)30-2;1-27-19-4-2-3-17(21)15(19)8-6-13-5-7-14(20-25-24-12-26(13)20)16-11-23-10-9-18(16)22/h4-7,9,11-13,16,18-19H,8,10,14-15,17H2,1-3H3;2-6,8,10,15-16,19,27H,7,9,11-14H2,1H3;4-8,10-11,13-14H,9,12H2,1-3H3;3-6,8,10-13H,7,9H2,1-2H3,(H,24,29);2-5,7,9-12H,6,8H2,1H3
• InChIKey: LGYHURFSLLZNQF-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 350.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 30
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2146.41
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide?

The IUPAC name of 8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide (CID 159347804) is 8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(-c2ccc(CCc3c(F)cccc3OC)n3cnnc23)c1.COc1cccc(F)c1CCc1ccc(-c2ccc(C(=O)N(C)C)cc2F)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(=O)(=O)C3CCNCC3)nc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cnccc2F)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(N3CCN(C)CC3C)nc2)c2nncn12.

What is the InChIKey of 8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide?

The InChIKey is LGYHURFSLLZNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O.C25H26FN5O3S.C24H22F2N4O2.C22H20FN5O2.C20H16F2N4O/c1-19-17-30(2)14-15-31(19)25-13-9-21(16-27-25)23-12-11-22(32-18-28-29-26(23)32)10-8-20-6-4-5-7-24(20)33-3;1-34-23-4-2-3-22(26)21(23)9-7-18-6-8-20(25-30-29-16-31(18)25)17-5-10-24(28-15-17)35(32,33)19-11-13-27-14-12-19;1-29(2)24(31)15-7-10-17(21(26)13-15)18-11-8-16(30-14-27-28-23(18)30)9-12-19-20(25)5-4-6-22(19)32-3;1-24-22(29)15-10-14(11-25-12-15)17-8-6-16(28-13-26-27-21(17)28)7-9-18-19(23)4-3-5-20(18)30-2;1-27-19-4-2-3-17(21)15(19)8-6-13-5-7-14(20-25-24-12-26(13)20)16-11-23-10-9-18(16)22/h4-7,9,11-13,16,18-19H,8,10,14-15,17H2,1-3H3;2-6,8,10,15-16,19,27H,7,9,11-14H2,1H3;4-8,10-11,13-14H,9,12H2,1-3H3;3-6,8,10-13H,7,9H2,1-2H3,(H,24,29);2-5,7,9-12H,6,8H2,1H3.

What are the key properties of 8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide?

8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 2146.41 g/mol, XLogP of 18.09, 30 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;3-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-piperidin-4-ylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 159347804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).