5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine

C137H145FN20O13 — CID 158947963

About 5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine

5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158947963) has the molecular formula C137H145FN20O13 and a molecular weight of 2298.79 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 158947963
• Molecular Formula: C137H145FN20O13
• Molecular Weight: 2298.79 g/mol
• Exact Mass: 2297.13
• IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1cc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cc(OC)c1OC.COc1ccc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cc1OC.Oc1ccc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cc1F.c1ccc(Oc2ccc(-c3cccc4nc(Cc5ccc(OCCN6CCCC6)cc5)nn34)cc2)cc1
• InChI: InChI=1S/C31H30N4O2.C28H32N4O4.C27H30N4O3.C26H28N4O2.C25H25FN4O2/c1-2-7-27(8-3-1)37-28-17-13-25(14-18-28)29-9-6-10-31-32-30(33-35(29)31)23-24-11-15-26(16-12-24)36-22-21-34-19-4-5-20-34;1-33-24-18-21(19-25(34-2)28(24)35-3)23-7-6-8-27-29-26(30-32(23)27)17-20-9-11-22(12-10-20)36-16-15-31-13-4-5-14-31;1-32-24-13-10-21(19-25(24)33-2)23-6-5-7-27-28-26(29-31(23)27)18-20-8-11-22(12-9-20)34-17-16-30-14-3-4-15-30;1-31-22-13-9-21(10-14-22)24-5-4-6-26-27-25(28-30(24)26)19-20-7-11-23(12-8-20)32-18-17-29-15-2-3-16-29;26-21-17-19(8-11-23(21)31)22-4-3-5-25-27-24(28-30(22)25)16-18-6-9-20(10-7-18)32-15-14-29-12-1-2-13-29/h1-3,6-18H,4-5,19-23H2;6-12,18-19H,4-5,13-17H2,1-3H3;5-13,19H,3-4,14-18H2,1-2H3;4-14H,2-3,15-19H2,1H3;3-11,17,31H,1-2,12-16H2
• InChIKey: JLBHBGNNXOPADL-UHFFFAOYSA-N
• XLogP: 24.00
• TPSA: 298.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 43
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2298.79
LogP ≤ 5	24.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 158947963) is 5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cc(OC)c1OC.COc1ccc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cc1OC.Oc1ccc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cc1F.c1ccc(Oc2ccc(-c3cccc4nc(Cc5ccc(OCCN6CCCC6)cc5)nn34)cc2)cc1.

What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is JLBHBGNNXOPADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O2.C28H32N4O4.C27H30N4O3.C26H28N4O2.C25H25FN4O2/c1-2-7-27(8-3-1)37-28-17-13-25(14-18-28)29-9-6-10-31-32-30(33-35(29)31)23-24-11-15-26(16-12-24)36-22-21-34-19-4-5-20-34;1-33-24-18-21(19-25(34-2)28(24)35-3)23-7-6-8-27-29-26(30-32(23)27)17-20-9-11-22(12-10-20)36-16-15-31-13-4-5-14-31;1-32-24-13-10-21(19-25(24)33-2)23-6-5-7-27-28-26(29-31(23)27)18-20-8-11-22(12-9-20)34-17-16-30-14-3-4-15-30;1-31-22-13-9-21(10-14-22)24-5-4-6-26-27-25(28-30(24)26)19-20-7-11-23(12-8-20)32-18-17-29-15-2-3-16-29;26-21-17-19(8-11-23(21)31)22-4-3-5-25-27-24(28-30(22)25)16-18-6-9-20(10-7-18)32-15-14-29-12-1-2-13-29/h1-3,6-18H,4-5,19-23H2;6-12,18-19H,4-5,13-17H2,1-3H3;5-13,19H,3-4,14-18H2,1-2H3;4-14H,2-3,15-19H2,1H3;3-11,17,31H,1-2,12-16H2.

What are the key properties of 5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?

5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 2298.79 g/mol, XLogP of 24.00, 43 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dimethoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-phenoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158947963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).