N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine

C102H111F4N21O8S2 — CID 159692670

About N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine

N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 159692670) has the molecular formula C102H111F4N21O8S2 and a molecular weight of 1899.27 g/mol. Its IUPAC name is N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 159692670
• Molecular Formula: C102H111F4N21O8S2
• Molecular Weight: 1899.27 g/mol
• Exact Mass: 1897.83
• IUPAC Name: N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: COc1cc(C)ccc1CCc1ccc(-c2ccc(NS(C)(=O)=O)c(F)c2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(N3CCN(C(C)C)CC3)nc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(=O)(=O)C3CCNCC3)cc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cnc(N3CCN(C(C)C)CC3)nc2)c2nncn12
• InChI: InChI=1S/C27H31FN6O.C26H30FN7O.C26H27FN4O3S.C23H23FN4O3S/c1-19(2)32-13-15-33(16-14-32)26-12-7-20(17-29-26)22-10-8-21(34-18-30-31-27(22)34)9-11-23-24(28)5-4-6-25(23)35-3;1-18(2)32-11-13-33(14-12-32)26-28-15-19(16-29-26)21-9-7-20(34-17-30-31-25(21)34)8-10-22-23(27)5-4-6-24(22)35-3;1-34-25-4-2-3-24(27)23(25)12-8-19-7-11-22(26-30-29-17-31(19)26)18-5-9-20(10-6-18)35(32,33)21-13-15-28-16-14-21;1-15-4-5-16(22(12-15)31-2)6-8-18-9-10-19(23-26-25-14-28(18)23)17-7-11-21(20(24)13-17)27-32(3,29)30/h4-8,10,12,17-19H,9,11,13-16H2,1-3H3;4-7,9,15-18H,8,10-14H2,1-3H3;2-7,9-11,17,21,28H,8,12-16H2,1H3;4-5,7,9-14,27H,6,8H2,1-3H3
• InChIKey: MWPONRSCJHWMOU-UHFFFAOYSA-N
• XLogP: 15.77
• TPSA: 301.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1899.27
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 159692670) is N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine is COc1cc(C)ccc1CCc1ccc(-c2ccc(NS(C)(=O)=O)c(F)c2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(N3CCN(C(C)C)CC3)nc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(=O)(=O)C3CCNCC3)cc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cnc(N3CCN(C(C)C)CC3)nc2)c2nncn12.

What is the InChIKey of N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is MWPONRSCJHWMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O.C26H30FN7O.C26H27FN4O3S.C23H23FN4O3S/c1-19(2)32-13-15-33(16-14-32)26-12-7-20(17-29-26)22-10-8-21(34-18-30-31-27(22)34)9-11-23-24(28)5-4-6-25(23)35-3;1-18(2)32-11-13-33(14-12-32)26-28-15-19(16-29-26)21-9-7-20(34-17-30-31-25(21)34)8-10-22-23(27)5-4-6-24(22)35-3;1-34-25-4-2-3-24(27)23(25)12-8-19-7-11-22(26-30-29-17-31(19)26)18-5-9-20(10-6-18)35(32,33)21-13-15-28-16-14-21;1-15-4-5-16(22(12-15)31-2)6-8-18-9-10-19(23-26-25-14-28(18)23)17-7-11-21(20(24)13-17)27-32(3,29)30/h4-8,10,12,17-19H,9,11,13-16H2,1-3H3;4-7,9,15-18H,8,10-14H2,1-3H3;2-7,9-11,17,21,28H,8,12-16H2,1H3;4-5,7,9-14,27H,6,8H2,1-3H3.

What are the key properties of N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine?

N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 1899.27 g/mol, XLogP of 15.77, 28 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 159692670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).