1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine

C102H114FN21O6S — CID 158265658

About 1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine

1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158265658) has the molecular formula C102H114FN21O6S and a molecular weight of 1781.24 g/mol. Its IUPAC name is 1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 158265658
• Molecular Formula: C102H114FN21O6S
• Molecular Weight: 1781.24 g/mol
• Exact Mass: 1779.90
• IUPAC Name: 1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: CC(F)Oc1ccccc1CCc1ccc(-c2ccc(CN(C)C)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(N3CCN(C)CC3)nc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2cnc(N3CCN(C)CC3)c(C)c2)c2nncn12
• InChI: InChI=1S/C26H30N6O.C26H29N5O3S.C25H27FN4O.C25H28N6O/c1-19-16-21(17-27-25(19)31-14-12-30(2)13-15-31)23-11-10-22(32-18-28-29-26(23)32)9-8-20-6-4-5-7-24(20)33-3;1-29-15-17-30(18-16-29)35(32,33)23-12-8-20(9-13-23)24-14-11-22(31-19-27-28-26(24)31)10-7-21-5-3-4-6-25(21)34-2;1-18(26)31-24-7-5-4-6-21(24)12-13-22-14-15-23(25-28-27-17-30(22)25)20-10-8-19(9-11-20)16-29(2)3;1-29-13-15-30(16-14-29)24-12-8-20(17-26-24)22-11-10-21(31-18-27-28-25(22)31)9-7-19-5-3-4-6-23(19)32-2/h4-7,10-11,16-18H,8-9,12-15H2,1-3H3;3-6,8-9,11-14,19H,7,10,15-18H2,1-2H3;4-11,14-15,17-18H,12-13,16H2,1-3H3;3-6,8,10-12,17-18H,7,9,13-16H2,1-2H3
• InChIKey: GIKGGXWOHPRIPB-UHFFFAOYSA-N
• XLogP: 15.05
• TPSA: 240.28 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1781.24
LogP ≤ 5	15.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 158265658) is 1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine is CC(F)Oc1ccccc1CCc1ccc(-c2ccc(CN(C)C)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(N3CCN(C)CC3)nc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2cnc(N3CCN(C)CC3)c(C)c2)c2nncn12.

What is the InChIKey of 1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is GIKGGXWOHPRIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O.C26H29N5O3S.C25H27FN4O.C25H28N6O/c1-19-16-21(17-27-25(19)31-14-12-30(2)13-15-31)23-11-10-22(32-18-28-29-26(23)32)9-8-20-6-4-5-7-24(20)33-3;1-29-15-17-30(18-16-29)35(32,33)23-12-8-20(9-13-23)24-14-11-22(31-19-27-28-26(24)31)10-7-21-5-3-4-6-25(21)34-2;1-18(26)31-24-7-5-4-6-21(24)12-13-22-14-15-23(25-28-27-17-30(22)25)20-10-8-19(9-11-20)16-29(2)3;1-29-13-15-30(16-14-29)24-12-8-20(17-26-24)22-11-10-21(31-18-27-28-25(22)31)9-7-19-5-3-4-6-23(19)32-2/h4-7,10-11,16-18H,8-9,12-15H2,1-3H3;3-6,8-9,11-14,19H,7,10,15-18H2,1-2H3;4-11,14-15,17-18H,12-13,16H2,1-3H3;3-6,8,10-12,17-18H,7,9,13-16H2,1-2H3.

What are the key properties of 1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine?

1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 1781.24 g/mol, XLogP of 15.05, 27 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[2-[2-(1-fluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-methoxyphenyl)ethyl]-8-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158265658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).