N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C113H128N18O8 — CID 158349811

About N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 158349811) has the molecular formula C113H128N18O8 and a molecular weight of 1866.38 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 158349811
• Molecular Formula: C113H128N18O8
• Molecular Weight: 1866.38 g/mol
• Exact Mass: 1865.02
• IUPAC Name: N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: CCN(CC)CCOc1c(C)cc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1C.CCN(CC)CCOc1cc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)ccc1C.CC[C@H](COc1ccc(Nc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1)N1CCCC1.COc1ccc(-c2cccc3nc(Nc4ccc(OC[C@H](c5ccccc5)N5CCCC5)cc4)nn23)cc1
• InChI: InChI=1S/C31H31N5O2.C28H34N4O2.C27H31N5O2.C27H32N4O2/c1-37-26-16-12-24(13-17-26)28-10-7-11-30-33-31(34-36(28)30)32-25-14-18-27(19-15-25)38-22-29(35-20-5-6-21-35)23-8-3-2-4-9-23;1-6-31(7-2)15-16-34-28-20(3)17-22(18-21(28)4)19-26-29-27-10-8-9-25(32(27)30-26)23-11-13-24(33-5)14-12-23;1-3-22(31-17-4-5-18-31)19-34-24-15-11-21(12-16-24)28-27-29-26-8-6-7-25(32(26)30-27)20-9-13-23(33-2)14-10-20;1-5-30(6-2)16-17-33-25-18-21(11-10-20(25)3)19-26-28-27-9-7-8-24(31(27)29-26)22-12-14-23(32-4)15-13-22/h2-4,7-19,29H,5-6,20-22H2,1H3,(H,32,34);8-14,17-18H,6-7,15-16,19H2,1-5H3;6-16,22H,3-5,17-19H2,1-2H3,(H,28,30);7-15,18H,5-6,16-17,19H2,1-4H3/t29-;;22-;/m1.1./s1
• InChIKey: GSEFCMIZRIEPKR-IWHXHOCESA-N
• XLogP: 22.12
• TPSA: 231.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 38
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1866.38
LogP ≤ 5	22.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 158349811) is N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCN(CC)CCOc1c(C)cc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1C.CCN(CC)CCOc1cc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)ccc1C.CC[C@H](COc1ccc(Nc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1)N1CCCC1.COc1ccc(-c2cccc3nc(Nc4ccc(OC[C@H](c5ccccc5)N5CCCC5)cc4)nn23)cc1.

What is the InChIKey of N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is GSEFCMIZRIEPKR-IWHXHOCESA-N. The full InChI is InChI=1S/C31H31N5O2.C28H34N4O2.C27H31N5O2.C27H32N4O2/c1-37-26-16-12-24(13-17-26)28-10-7-11-30-33-31(34-36(28)30)32-25-14-18-27(19-15-25)38-22-29(35-20-5-6-21-35)23-8-3-2-4-9-23;1-6-31(7-2)15-16-34-28-20(3)17-22(18-21(28)4)19-26-29-27-10-8-9-25(32(27)30-26)23-11-13-24(33-5)14-12-23;1-3-22(31-17-4-5-18-31)19-34-24-15-11-21(12-16-24)28-27-29-26-8-6-7-25(32(26)30-27)20-9-13-23(33-2)14-10-20;1-5-30(6-2)16-17-33-25-18-21(11-10-20(25)3)19-26-28-27-9-7-8-24(31(27)29-26)22-12-14-23(32-4)15-13-22/h2-4,7-19,29H,5-6,20-22H2,1H3,(H,32,34);8-14,17-18H,6-7,15-16,19H2,1-5H3;6-16,22H,3-5,17-19H2,1-2H3,(H,28,30);7-15,18H,5-6,16-17,19H2,1-4H3/t29-;;22-;/m1.1./s1.

What are the key properties of N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 1866.38 g/mol, XLogP of 22.12, 38 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2,6-dimethylphenoxy]ethanamine;N,N-diethyl-2-[5-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]ethanamine;5-(4-methoxyphenyl)-N-[4-[(2S)-2-phenyl-2-pyrrolidin-1-ylethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-[4-[(2R)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 158349811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).