5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine

C146H150F5N23O14S3 — CID 157294373

About 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 157294373) has the molecular formula C146H150F5N23O14S3 and a molecular weight of 2642.14 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine
• PubChem CID: 157294373
• Molecular Formula: C146H150F5N23O14S3
• Molecular Weight: 2642.14 g/mol
• Exact Mass: 2640.08
• IUPAC Name: 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine
• SMILES: COc1cc(C)ccc1CCc1ccc(-c2ccc(S(=O)(=O)C3CCN(C)CC3)cc2)c2nncn12.COc1cc(CCc2ccc(-c3ccc(CN(C)C)cc3)c3nncn23)ccc1C.COc1ccc(F)c(CCc2ccc(-c3ccc(S(=O)(=O)C4CCN(C)CC4)cc3)c3nncn23)c1.COc1cccc(F)c1CCc1ccc(-c2ccc(N(C)S(C)(=O)=O)cc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(OCCO)cc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cncc(F)c2)c2nncn12
• InChI: InChI=1S/C28H32N4O3S.C27H29FN4O3S.C25H28N4O.C23H23FN4O3S.C23H22FN3O3.C20H16F2N4O/c1-20-4-5-22(27(18-20)35-3)6-9-23-10-13-26(28-30-29-19-32(23)28)21-7-11-24(12-8-21)36(33,34)25-14-16-31(2)17-15-25;1-31-15-13-24(14-16-31)36(33,34)23-9-4-19(5-10-23)25-11-7-21(32-18-29-30-27(25)32)6-3-20-17-22(35-2)8-12-26(20)28;1-18-5-6-19(15-24(18)30-4)9-12-22-13-14-23(25-27-26-17-29(22)25)21-10-7-20(8-11-21)16-28(2)3;1-27(32(3,29)30)17-9-7-16(8-10-17)19-13-11-18(28-15-25-26-23(19)28)12-14-20-21(24)5-4-6-22(20)31-2;1-29-22-4-2-3-21(24)20(22)12-8-17-7-11-19(23-26-25-15-27(17)23)16-5-9-18(10-6-16)30-14-13-28;1-27-19-4-2-3-18(22)17(19)8-6-15-5-7-16(20-25-24-12-26(15)20)13-9-14(21)11-23-10-13/h4-5,7-8,10-13,18-19,25H,6,9,14-17H2,1-3H3;4-5,7-12,17-18,24H,3,6,13-16H2,1-2H3;5-8,10-11,13-15,17H,9,12,16H2,1-4H3;4-11,13,15H,12,14H2,1-3H3;2-7,9-11,15,28H,8,12-14H2,1H3;2-5,7,9-12H,6,8H2,1H3
• InChIKey: BBECWNRQTOTTRH-UHFFFAOYSA-N
• XLogP: 24.41
• TPSA: 394.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 41
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2642.14
LogP ≤ 5	24.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine?

The IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine (CID 157294373) is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine.

What is the SMILES notation for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine?

The canonical SMILES for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine is COc1cc(C)ccc1CCc1ccc(-c2ccc(S(=O)(=O)C3CCN(C)CC3)cc2)c2nncn12.COc1cc(CCc2ccc(-c3ccc(CN(C)C)cc3)c3nncn23)ccc1C.COc1ccc(F)c(CCc2ccc(-c3ccc(S(=O)(=O)C4CCN(C)CC4)cc3)c3nncn23)c1.COc1cccc(F)c1CCc1ccc(-c2ccc(N(C)S(C)(=O)=O)cc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(OCCO)cc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cncc(F)c2)c2nncn12.

What is the InChIKey of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine?

The InChIKey is BBECWNRQTOTTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3S.C27H29FN4O3S.C25H28N4O.C23H23FN4O3S.C23H22FN3O3.C20H16F2N4O/c1-20-4-5-22(27(18-20)35-3)6-9-23-10-13-26(28-30-29-19-32(23)28)21-7-11-24(12-8-21)36(33,34)25-14-16-31(2)17-15-25;1-31-15-13-24(14-16-31)36(33,34)23-9-4-19(5-10-23)25-11-7-21(32-18-29-30-27(25)32)6-3-20-17-22(35-2)8-12-26(20)28;1-18-5-6-19(15-24(18)30-4)9-12-22-13-14-23(25-27-26-17-29(22)25)21-10-7-20(8-11-21)16-28(2)3;1-27(32(3,29)30)17-9-7-16(8-10-17)19-13-11-18(28-15-25-26-23(19)28)12-14-20-21(24)5-4-6-22(20)31-2;1-29-22-4-2-3-21(24)20(22)12-8-17-7-11-19(23-26-25-15-27(17)23)16-5-9-18(10-6-16)30-14-13-28;1-27-19-4-2-3-18(22)17(19)8-6-15-5-7-16(20-25-24-12-26(15)20)13-9-14(21)11-23-10-13/h4-5,7-8,10-13,18-19,25H,6,9,14-17H2,1-3H3;4-5,7-12,17-18,24H,3,6,13-16H2,1-2H3;5-8,10-11,13-15,17H,9,12,16H2,1-4H3;4-11,13,15H,12,14H2,1-3H3;2-7,9-11,15,28H,8,12-14H2,1H3;2-5,7,9-12H,6,8H2,1H3.

What are the key properties of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine?

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 2642.14 g/mol, XLogP of 24.41, 41 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenoxy]ethanol;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N-methylmethanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(3-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 157294373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).