N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine

C105H111N15O9S — CID 157056820

About N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine

N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine (PubChem CID 157056820) has the molecular formula C105H111N15O9S and a molecular weight of 1759.21 g/mol. Its IUPAC name is N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine.

Molecular Properties

• Compound Name: N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine
• PubChem CID: 157056820
• Molecular Formula: C105H111N15O9S
• Molecular Weight: 1759.21 g/mol
• Exact Mass: 1757.84
• IUPAC Name: N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine
• SMILES: CCCN(C)CCOc1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(CCCN(C)Cc5ccccc5)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)c(OC)c4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(S(C)(=O)=O)cc4)nn23)cc1
• InChI: InChI=1S/C31H32N4O.C27H30N4O3.C26H30N4O2.C21H19N3O3S/c1-34(23-26-8-4-3-5-9-26)21-7-10-24-13-15-25(16-14-24)22-30-32-31-12-6-11-29(35(31)33-30)27-17-19-28(36-2)20-18-27;1-32-22-11-9-21(10-12-22)23-6-5-7-27-28-26(29-31(23)27)19-20-8-13-24(25(18-20)33-2)34-17-16-30-14-3-4-15-30;1-4-16-29(2)17-18-32-23-12-8-20(9-13-23)19-25-27-26-7-5-6-24(30(26)28-25)21-10-14-22(31-3)15-11-21;1-27-17-10-8-16(9-11-17)19-4-3-5-21-22-20(23-24(19)21)14-15-6-12-18(13-7-15)28(2,25)26/h3-6,8-9,11-20H,7,10,21-23H2,1-2H3;5-13,18H,3-4,14-17,19H2,1-2H3;5-15H,4,16-19H2,1-3H3;3-13H,14H2,1-2H3
• InChIKey: AAVWITZPKOSVDC-UHFFFAOYSA-N
• XLogP: 18.65
• TPSA: 229.23 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 34
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1759.21
LogP ≤ 5	18.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine?

The IUPAC name of N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine (CID 157056820) is N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine.

What is the SMILES notation for N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine?

The canonical SMILES for N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine is CCCN(C)CCOc1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(CCCN(C)Cc5ccccc5)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)c(OC)c4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(S(C)(=O)=O)cc4)nn23)cc1.

What is the InChIKey of N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine?

The InChIKey is AAVWITZPKOSVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O.C27H30N4O3.C26H30N4O2.C21H19N3O3S/c1-34(23-26-8-4-3-5-9-26)21-7-10-24-13-15-25(16-14-24)22-30-32-31-12-6-11-29(35(31)33-30)27-17-19-28(36-2)20-18-27;1-32-22-11-9-21(10-12-22)23-6-5-7-27-28-26(29-31(23)27)19-20-8-13-24(25(18-20)33-2)34-17-16-30-14-3-4-15-30;1-4-16-29(2)17-18-32-23-12-8-20(9-13-23)19-25-27-26-7-5-6-24(30(26)28-25)21-10-14-22(31-3)15-11-21;1-27-17-10-8-16(9-11-17)19-4-3-5-21-22-20(23-24(19)21)14-15-6-12-18(13-7-15)28(2,25)26/h3-6,8-9,11-20H,7,10,21-23H2,1-2H3;5-13,18H,3-4,14-17,19H2,1-2H3;5-15H,4,16-19H2,1-3H3;3-13H,14H2,1-2H3.

What are the key properties of N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine?

N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine has a molecular weight of 1759.21 g/mol, XLogP of 18.65, 34 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine;5-(4-methoxyphenyl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-[(4-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]ethyl]-N-methylpropan-1-amine is sourced from PubChem (CID 157056820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).