5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C115H127ClN18O5 — CID 158669045

About 5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158669045) has the molecular formula C115H127ClN18O5 and a molecular weight of 1876.85 g/mol. Its IUPAC name is 5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 158669045
• Molecular Formula: C115H127ClN18O5
• Molecular Weight: 1876.85 g/mol
• Exact Mass: 1874.99
• IUPAC Name: 5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: C=Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.CC(C)Oc1cccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.CCN(CC)CCCOc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.Clc1cccc(COc2cccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)c2)c1
• InChI: InChI=1S/C33H33ClN4O.C29H34N4O.C28H32N4O3.C25H28N6/c34-29-10-3-7-27(21-29)24-39-30-11-4-9-28(23-30)31-12-5-13-33-35-32(36-38(31)33)22-26-16-14-25(15-17-26)8-6-20-37-18-1-2-19-37;1-22(2)34-26-10-5-9-25(21-26)27-11-6-12-29-30-28(31-33(27)29)20-24-15-13-23(14-16-24)8-7-19-32-17-3-4-18-32;1-3-31(4-2)15-6-16-33-23-12-9-21(10-13-23)19-27-29-28-8-5-7-24(32(28)30-27)22-11-14-25-26(20-22)35-18-17-34-25;1-2-30-19-22(18-26-30)23-8-5-9-25-27-24(28-31(23)25)17-21-12-10-20(11-13-21)7-6-16-29-14-3-4-15-29/h3-5,7,9-17,21,23H,1-2,6,8,18-20,22,24H2;5-6,9-16,21-22H,3-4,7-8,17-20H2,1-2H3;5,7-14,20H,3-4,6,15-19H2,1-2H3;2,5,8-13,18-19H,1,3-4,6-7,14-17H2
• InChIKey: IDSKKVKVSVNDBQ-UHFFFAOYSA-N
• XLogP: 22.23
• TPSA: 197.69 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 37
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1876.85
LogP ≤ 5	22.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 158669045) is 5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is C=Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.CC(C)Oc1cccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.CCN(CC)CCCOc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.Clc1cccc(COc2cccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)c2)c1.

What is the InChIKey of 5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is IDSKKVKVSVNDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33ClN4O.C29H34N4O.C28H32N4O3.C25H28N6/c34-29-10-3-7-27(21-29)24-39-30-11-4-9-28(23-30)31-12-5-13-33-35-32(36-38(31)33)22-26-16-14-25(15-17-26)8-6-20-37-18-1-2-19-37;1-22(2)34-26-10-5-9-25(21-26)27-11-6-12-29-30-28(31-33(27)29)20-24-15-13-23(14-16-24)8-7-19-32-17-3-4-18-32;1-3-31(4-2)15-6-16-33-23-12-9-21(10-13-23)19-27-29-28-8-5-7-24(32(28)30-27)22-11-14-25-26(20-22)35-18-17-34-25;1-2-30-19-22(18-26-30)23-8-5-9-25-27-24(28-31(23)25)17-21-12-10-20(11-13-21)7-6-16-29-14-3-4-15-29/h3-5,7,9-17,21,23H,1-2,6,8,18-20,22,24H2;5-6,9-16,21-22H,3-4,7-8,17-20H2,1-2H3;5,7-14,20H,3-4,6,15-19H2,1-2H3;2,5,8-13,18-19H,1,3-4,6-7,14-17H2.

What are the key properties of 5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?

5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 1876.85 g/mol, XLogP of 22.23, 37 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(3-chlorophenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylpropan-1-amine;5-(1-ethenylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3-propan-2-yloxyphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158669045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).