5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline

C131H139N21O11 — CID 160972183

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline (PubChem CID 160972183) has the molecular formula C131H139N21O11 and a molecular weight of 2183.69 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline
• PubChem CID: 160972183
• Molecular Formula: C131H139N21O11
• Molecular Weight: 2183.69 g/mol
• Exact Mass: 2182.10
• IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline
• SMILES: CC(CCc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1)N1CCCC1.CC(CNc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1)N1CCCC1.C[C@@H](CN)Cc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.C[C@H](CN)Cc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.C[C@H](N)COc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1
• InChI: InChI=1S/C29H32N4O2.C28H31N5O2.2C25H26N4O2.C24H24N4O3/c1-21(32-14-2-3-15-32)10-11-22-6-4-7-23(18-22)19-28-30-29-9-5-8-25(33(29)31-28)24-12-13-26-27(20-24)35-17-16-34-26;1-20(32-13-2-3-14-32)19-29-23-10-7-21(8-11-23)17-27-30-28-6-4-5-24(33(28)31-27)22-9-12-25-26(18-22)35-16-15-34-25;2*1-17(16-26)13-18-5-7-19(8-6-18)14-24-27-25-4-2-3-21(29(25)28-24)20-9-10-22-23(15-20)31-12-11-30-22;1-16(25)15-31-19-8-5-17(6-9-19)13-23-26-24-4-2-3-20(28(24)27-23)18-7-10-21-22(14-18)30-12-11-29-21/h4-9,12-13,18,20-21H,2-3,10-11,14-17,19H2,1H3;4-12,18,20,29H,2-3,13-17,19H2,1H3;2*2-10,15,17H,11-14,16,26H2,1H3;2-10,14,16H,11-13,15,25H2,1H3/t;;2*17-;16-/m..100/s1
• InChIKey: SYKCVLLRWRDGNE-PGKLLNTRSA-N
• XLogP: 21.11
• TPSA: 349.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 32
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2183.69
LogP ≤ 5	21.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline?

The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline (CID 160972183) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline.

What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline?

The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline is CC(CCc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1)N1CCCC1.CC(CNc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1)N1CCCC1.C[C@@H](CN)Cc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.C[C@H](CN)Cc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.C[C@H](N)COc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.

What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline?

The InChIKey is SYKCVLLRWRDGNE-PGKLLNTRSA-N. The full InChI is InChI=1S/C29H32N4O2.C28H31N5O2.2C25H26N4O2.C24H24N4O3/c1-21(32-14-2-3-15-32)10-11-22-6-4-7-23(18-22)19-28-30-29-9-5-8-25(33(29)31-28)24-12-13-26-27(20-24)35-17-16-34-26;1-20(32-13-2-3-14-32)19-29-23-10-7-21(8-11-23)17-27-30-28-6-4-5-24(33(28)31-27)22-9-12-25-26(18-22)35-16-15-34-25;2*1-17(16-26)13-18-5-7-19(8-6-18)14-24-27-25-4-2-3-21(29(25)28-24)20-9-10-22-23(15-20)31-12-11-30-22;1-16(25)15-31-19-8-5-17(6-9-19)13-23-26-24-4-2-3-20(28(24)27-23)18-7-10-21-22(14-18)30-12-11-29-21/h4-9,12-13,18,20-21H,2-3,10-11,14-17,19H2,1H3;4-12,18,20,29H,2-3,13-17,19H2,1H3;2*2-10,15,17H,11-14,16,26H2,1H3;2-10,14,16H,11-13,15,25H2,1H3/t;;2*17-;16-/m..100/s1.

What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline?

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline has a molecular weight of 2183.69 g/mol, XLogP of 21.11, 32 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(3-pyrrolidin-1-ylbutyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;(2S)-1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propan-2-amine;(2S)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;(2R)-3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-2-methylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylpropyl)aniline is sourced from PubChem (CID 160972183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).