2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine

C233H235FN32O18 — CID 167676910

About 2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine

2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine (PubChem CID 167676910) has the molecular formula C233H235FN32O18 and a molecular weight of 3790.65 g/mol. Its IUPAC name is 2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine.

Molecular Properties

• Compound Name: 2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine
• PubChem CID: 167676910
• Molecular Formula: C233H235FN32O18
• Molecular Weight: 3790.65 g/mol
• Exact Mass: 3787.84
• IUPAC Name: 2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine
• SMILES: CCCNCc1cc2nc(-c3cccc(-c4ccccc4)c3C)oc2cc1OCC#N.CCCNCc1cc2nc(-c3cccc(-c4ccccc4F)c3C)oc2cc1OCC#N.CCCNCc1ccc(OCc2cccc(-c3cccc(COc4ccc(CCCCO)cc4C)c3C)c2C)c(C)c1.CCCNCc1ccc2nc(-c3cccc(-c4ccccc4)c3C)nn2c1.CCCNCc1cnc2nc(-c3cccc(-c4ccccc4)c3C)cn2n1.Cc1c(-c2ccc3c(c2)OCCO3)cccc1-c1nc2cc(CNCCO)cc(C)c2o1.Cc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)c(OCC#N)cc2o1.Cc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)nc(C)n2n1.N#Cc1c(-c2ccc3c(c2)OCCO3)cccc1-c1nc2c(C#N)cc(CNCCO)cn2n1
• InChI: InChI=1S/C38H47NO3.C26H24FN3O2.C26H25N3O2.C26H26N2O4.C25H20N6O3.C25H23N3O3.C23H24N4.C22H23N5O.C22H23N5/c1-6-20-39-24-32-17-19-38(28(3)23-32)42-26-34-13-10-15-36(30(34)5)35-14-9-12-33(29(35)4)25-41-37-18-16-31(22-27(37)2)11-7-8-21-40;1-3-12-29-16-18-14-23-25(15-24(18)31-13-11-28)32-26(30-23)20-9-6-8-19(17(20)2)21-7-4-5-10-22(21)27;1-3-13-28-17-20-15-23-25(16-24(20)30-14-12-27)31-26(29-23)22-11-7-10-21(18(22)2)19-8-5-4-6-9-19;1-16-12-18(15-27-8-9-29)13-22-25(16)32-26(28-22)21-5-3-4-20(17(21)2)19-6-7-23-24(14-19)31-11-10-30-23;26-12-18-10-16(14-28-6-7-32)15-31-25(18)29-24(30-31)20-3-1-2-19(21(20)13-27)17-4-5-22-23(11-17)34-9-8-33-22;1-17-20(18-6-3-2-4-7-18)8-5-9-21(17)25-28-22-14-19(16-27-11-12-29)23(30-13-10-26)15-24(22)31-25;1-3-14-24-15-18-12-13-22-25-23(26-27(22)16-18)21-11-7-10-20(17(21)2)19-8-5-4-6-9-19;1-15-19(17-7-4-3-5-8-17)9-6-10-20(15)22-25-21-13-18(14-23-11-12-28)24-16(2)27(21)26-22;1-3-12-23-13-18-14-24-22-25-21(15-27(22)26-18)20-11-7-10-19(16(20)2)17-8-5-4-6-9-17/h9-10,12-19,22-23,39-40H,6-8,11,20-21,24-26H2,1-5H3;4-10,14-15,29H,3,12-13,16H2,1-2H3;4-11,15-16,28H,3,13-14,17H2,1-2H3;3-7,12-14,27,29H,8-11,15H2,1-2H3;1-5,10-11,15,28,32H,6-9,14H2;2-9,14-15,27,29H,11-13,16H2,1H3;4-13,16,24H,3,14-15H2,1-2H3;3-10,13,23,28H,11-12,14H2,1-2H3;4-11,14-15,23H,3,12-13H2,1-2H3
• InChIKey: UYJQCLHQCTWRME-UHFFFAOYSA-N
• XLogP: 44.48
• TPSA: 662.10 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 50
• Rotatable Bonds: 69
• Heavy Atoms: 284
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3790.65
LogP ≤ 5	44.48
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine?

The IUPAC name of 2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine (CID 167676910) is 2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine.

What is the SMILES notation for 2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine?

The canonical SMILES for 2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine is CCCNCc1cc2nc(-c3cccc(-c4ccccc4)c3C)oc2cc1OCC#N.CCCNCc1cc2nc(-c3cccc(-c4ccccc4F)c3C)oc2cc1OCC#N.CCCNCc1ccc(OCc2cccc(-c3cccc(COc4ccc(CCCCO)cc4C)c3C)c2C)c(C)c1.CCCNCc1ccc2nc(-c3cccc(-c4ccccc4)c3C)nn2c1.CCCNCc1cnc2nc(-c3cccc(-c4ccccc4)c3C)cn2n1.Cc1c(-c2ccc3c(c2)OCCO3)cccc1-c1nc2cc(CNCCO)cc(C)c2o1.Cc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)c(OCC#N)cc2o1.Cc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)nc(C)n2n1.N#Cc1c(-c2ccc3c(c2)OCCO3)cccc1-c1nc2c(C#N)cc(CNCCO)cn2n1.

What is the InChIKey of 2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine?

The InChIKey is UYJQCLHQCTWRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47NO3.C26H24FN3O2.C26H25N3O2.C26H26N2O4.C25H20N6O3.C25H23N3O3.C23H24N4.C22H23N5O.C22H23N5/c1-6-20-39-24-32-17-19-38(28(3)23-32)42-26-34-13-10-15-36(30(34)5)35-14-9-12-33(29(35)4)25-41-37-18-16-31(22-27(37)2)11-7-8-21-40;1-3-12-29-16-18-14-23-25(15-24(18)31-13-11-28)32-26(30-23)20-9-6-8-19(17(20)2)21-7-4-5-10-22(21)27;1-3-13-28-17-20-15-23-25(16-24(20)30-14-12-27)31-26(29-23)22-11-7-10-21(18(22)2)19-8-5-4-6-9-19;1-16-12-18(15-27-8-9-29)13-22-25(16)32-26(28-22)21-5-3-4-20(17(21)2)19-6-7-23-24(14-19)31-11-10-30-23;26-12-18-10-16(14-28-6-7-32)15-31-25(18)29-24(30-31)20-3-1-2-19(21(20)13-27)17-4-5-22-23(11-17)34-9-8-33-22;1-17-20(18-6-3-2-4-7-18)8-5-9-21(17)25-28-22-14-19(16-27-11-12-29)23(30-13-10-26)15-24(22)31-25;1-3-14-24-15-18-12-13-22-25-23(26-27(22)16-18)21-11-7-10-20(17(21)2)19-8-5-4-6-9-19;1-15-19(17-7-4-3-5-8-17)9-6-10-20(15)22-25-21-13-18(14-23-11-12-28)24-16(2)27(21)26-22;1-3-12-23-13-18-14-24-22-25-21(15-27(22)26-18)20-11-7-10-19(16(20)2)17-8-5-4-6-9-17/h9-10,12-19,22-23,39-40H,6-8,11,20-21,24-26H2,1-5H3;4-10,14-15,29H,3,12-13,16H2,1-2H3;4-11,15-16,28H,3,13-14,17H2,1-2H3;3-7,12-14,27,29H,8-11,15H2,1-2H3;1-5,10-11,15,28,32H,6-9,14H2;2-9,14-15,27,29H,11-13,16H2,1H3;4-13,16,24H,3,14-15H2,1-2H3;3-10,13,23,28H,11-12,14H2,1-2H3;4-11,14-15,23H,3,12-13H2,1-2H3.

What are the key properties of 2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine?

2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine has a molecular weight of 3790.65 g/mol, XLogP of 44.48, 69 rotatable bonds, 14 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile;2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methylamino]ethanol;2-[[2-[3-(2-fluorophenyl)-2-methylphenyl]-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;2-[[5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;4-[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(propylaminomethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]butan-1-ol;2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol;N-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methyl]propan-1-amine;2-[[2-(2-methyl-3-phenylphenyl)-5-(propylaminomethyl)-1,3-benzoxazol-6-yl]oxy]acetonitrile;N-[[2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine is sourced from PubChem (CID 167676910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).