5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine

C104H114N20O10 — CID 159106328

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine (PubChem CID 159106328) has the molecular formula C104H114N20O10 and a molecular weight of 1804.19 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine
• PubChem CID: 159106328
• Molecular Formula: C104H114N20O10
• Molecular Weight: 1804.19 g/mol
• Exact Mass: 1802.90
• IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine
• SMILES: CCN(CC)CCOc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1.CN(C)CCCc1ncc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cn1.CN(C)CCOc1cc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)ccn1.CN1CCN(CCCc2ccc(Cc3nc4cccc(-c5ccc6c(c5)OCCO6)n4n3)cc2)CC1
• InChI: InChI=1S/C29H33N5O2.C27H30N4O3.C24H26N6O2.C24H25N5O3/c1-32-14-16-33(17-15-32)13-3-4-22-7-9-23(10-8-22)20-28-30-29-6-2-5-25(34(29)31-28)24-11-12-26-27(21-24)36-19-18-35-26;1-3-30(4-2)13-14-32-22-8-5-7-20(17-22)18-26-28-27-10-6-9-23(31(27)29-26)21-11-12-24-25(19-21)34-16-15-33-24;1-29(2)10-4-6-22-25-15-17(16-26-22)13-23-27-24-7-3-5-19(30(24)28-23)18-8-9-20-21(14-18)32-12-11-31-20;1-28(2)10-11-32-24-15-17(8-9-25-24)14-22-26-23-5-3-4-19(29(23)27-22)18-6-7-20-21(16-18)31-13-12-30-20/h2,5-12,21H,3-4,13-20H2,1H3;5-12,17,19H,3-4,13-16,18H2,1-2H3;3,5,7-9,14-16H,4,6,10-13H2,1-2H3;3-9,15-16H,10-14H2,1-2H3
• InChIKey: KDXXBSYQOYGSTM-UHFFFAOYSA-N
• XLogP: 14.55
• TPSA: 267.93 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1804.19
LogP ≤ 5	14.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine?

The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine (CID 159106328) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine.

What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine?

The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine is CCN(CC)CCOc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1.CN(C)CCCc1ncc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cn1.CN(C)CCOc1cc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)ccn1.CN1CCN(CCCc2ccc(Cc3nc4cccc(-c5ccc6c(c5)OCCO6)n4n3)cc2)CC1.

What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine?

The InChIKey is KDXXBSYQOYGSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2.C27H30N4O3.C24H26N6O2.C24H25N5O3/c1-32-14-16-33(17-15-32)13-3-4-22-7-9-23(10-8-22)20-28-30-29-6-2-5-25(34(29)31-28)24-11-12-26-27(21-24)36-19-18-35-26;1-3-30(4-2)13-14-32-22-8-5-7-20(17-22)18-26-28-27-10-6-9-23(31(27)29-26)21-11-12-24-25(19-21)34-16-15-33-24;1-29(2)10-4-6-22-25-15-17(16-26-22)13-23-27-24-7-3-5-19(30(24)28-23)18-8-9-20-21(14-18)32-12-11-31-20;1-28(2)10-11-32-24-15-17(8-9-25-24)14-22-26-23-5-3-4-19(29(23)27-22)18-6-7-20-21(16-18)31-13-12-30-20/h2,5-12,21H,3-4,13-20H2,1H3;5-12,17,19H,3-4,13-16,18H2,1-2H3;3,5,7-9,14-16H,4,6,10-13H2,1-2H3;3-9,15-16H,10-14H2,1-2H3.

What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine?

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 1804.19 g/mol, XLogP of 14.55, 30 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 159106328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).