5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C126H135F3N22O3 — CID 158021483

About 5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 158021483) has the molecular formula C126H135F3N22O3 and a molecular weight of 2062.61 g/mol. Its IUPAC name is 5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 158021483
• Molecular Formula: C126H135F3N22O3
• Molecular Weight: 2062.61 g/mol
• Exact Mass: 2061.10
• IUPAC Name: 5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: CCCCNc1cccc(-c2cccc3nc(Nc4ccc(CCCN5CCCC5)cc4)nn23)c1.Cc1ccccc1COc1cccc(-c2cccc3nc(Nc4ccc(CCCN5CCCC5)cc4)nn23)c1.FC(F)(F)c1cccc(COc2cccc(-c3cccc4nc(Nc5ccc(CCCN6CCCC6)cc5)nn34)c2)c1.c1ccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)cc1
• InChI: InChI=1S/C33H32F3N5O.C33H35N5O.C31H32N6O.C29H36N6/c34-33(35,36)27-10-3-7-25(21-27)23-42-29-11-4-9-26(22-29)30-12-5-13-31-38-32(39-41(30)31)37-28-16-14-24(15-17-28)8-6-20-40-18-1-2-19-40;1-25-9-2-3-11-28(25)24-39-30-13-6-12-27(23-30)31-14-7-15-32-35-33(36-38(31)32)34-29-18-16-26(17-19-29)10-8-22-37-20-4-5-21-37;1-2-8-24(9-3-1)23-32-27-11-6-10-25(22-27)29-12-7-13-30-34-31(35-37(29)30)33-26-14-16-28(17-15-26)38-21-20-36-18-4-5-19-36;1-2-3-18-30-26-11-6-10-24(22-26)27-12-7-13-28-32-29(33-35(27)28)31-25-16-14-23(15-17-25)9-8-21-34-19-4-5-20-34/h3-5,7,9-17,21-22H,1-2,6,8,18-20,23H2,(H,37,39);2-3,6-7,9,11-19,23H,4-5,8,10,20-22,24H2,1H3,(H,34,36);1-3,6-17,22,32H,4-5,18-21,23H2,(H,33,35);6-7,10-17,22,30H,2-5,8-9,18-21H2,1H3,(H,31,33)
• InChIKey: FGCPJXZYKZQQIX-UHFFFAOYSA-N
• XLogP: 27.43
• TPSA: 233.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 41
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2062.61
LogP ≤ 5	27.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 158021483) is 5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCCCNc1cccc(-c2cccc3nc(Nc4ccc(CCCN5CCCC5)cc4)nn23)c1.Cc1ccccc1COc1cccc(-c2cccc3nc(Nc4ccc(CCCN5CCCC5)cc4)nn23)c1.FC(F)(F)c1cccc(COc2cccc(-c3cccc4nc(Nc5ccc(CCCN6CCCC6)cc5)nn34)c2)c1.c1ccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)cc1.

What is the InChIKey of 5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is FGCPJXZYKZQQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F3N5O.C33H35N5O.C31H32N6O.C29H36N6/c34-33(35,36)27-10-3-7-25(21-27)23-42-29-11-4-9-26(22-29)30-12-5-13-31-38-32(39-41(30)31)37-28-16-14-24(15-17-28)8-6-20-40-18-1-2-19-40;1-25-9-2-3-11-28(25)24-39-30-13-6-12-27(23-30)31-14-7-15-32-35-33(36-38(31)32)34-29-18-16-26(17-19-29)10-8-22-37-20-4-5-21-37;1-2-8-24(9-3-1)23-32-27-11-6-10-25(22-27)29-12-7-13-30-34-31(35-37(29)30)33-26-14-16-28(17-15-26)38-21-20-36-18-4-5-19-36;1-2-3-18-30-26-11-6-10-24(22-26)27-12-7-13-28-32-29(33-35(27)28)31-25-16-14-23(15-17-25)9-8-21-34-19-4-5-20-34/h3-5,7,9-17,21-22H,1-2,6,8,18-20,23H2,(H,37,39);2-3,6-7,9,11-19,23H,4-5,8,10,20-22,24H2,1H3,(H,34,36);1-3,6-17,22,32H,4-5,18-21,23H2,(H,33,35);6-7,10-17,22,30H,2-5,8-9,18-21H2,1H3,(H,31,33).

What are the key properties of 5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 2062.61 g/mol, XLogP of 27.43, 41 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 158021483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).