N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide

C119H130N20O5S2 — CID 161339968

About N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide

N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide (PubChem CID 161339968) has the molecular formula C119H130N20O5S2 and a molecular weight of 1984.62 g/mol. Its IUPAC name is N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide
• PubChem CID: 161339968
• Molecular Formula: C119H130N20O5S2
• Molecular Weight: 1984.62 g/mol
• Exact Mass: 1983.00
• IUPAC Name: N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide
• SMILES: COc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2)cc1.CS(=O)(=O)Nc1ccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cc1.Nc1cccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.c1ccc(CNc2ccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2)cc1
• InChI: InChI=1S/C33H35N5O3S.C33H35N5.C27H31N5O2S.C26H29N5/c1-41-29-17-19-30(20-18-29)42(39,40)36-28-15-13-27(14-16-28)31-7-4-8-33-34-32(35-38(31)33)24-26-11-9-25(10-12-26)6-5-23-37-21-2-3-22-37;1-2-8-28(9-3-1)25-34-30-19-17-29(18-20-30)31-11-6-12-33-35-32(36-38(31)33)24-27-15-13-26(14-16-27)10-7-23-37-21-4-5-22-37;1-35(33,34)30-24-15-13-23(14-16-24)25-7-4-8-27-28-26(29-32(25)27)20-22-11-9-21(10-12-22)6-5-19-31-17-2-3-18-31;27-23-8-3-7-22(19-23)24-9-4-10-26-28-25(29-31(24)26)18-21-13-11-20(12-14-21)6-5-17-30-15-1-2-16-30/h4,7-20,36H,2-3,5-6,21-24H2,1H3;1-3,6,8-9,11-20,34H,4-5,7,10,21-25H2;4,7-16,30H,2-3,5-6,17-20H2,1H3;3-4,7-14,19H,1-2,5-6,15-18,27H2
• InChIKey: VMNOTKQVBMAOER-UHFFFAOYSA-N
• XLogP: 21.44
• TPSA: 273.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 37
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1984.62
LogP ≤ 5	21.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide?

The IUPAC name of N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide (CID 161339968) is N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide.

What is the SMILES notation for N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide?

The canonical SMILES for N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2)cc1.CS(=O)(=O)Nc1ccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cc1.Nc1cccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.c1ccc(CNc2ccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2)cc1.

What is the InChIKey of N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide?

The InChIKey is VMNOTKQVBMAOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O3S.C33H35N5.C27H31N5O2S.C26H29N5/c1-41-29-17-19-30(20-18-29)42(39,40)36-28-15-13-27(14-16-28)31-7-4-8-33-34-32(35-38(31)33)24-26-11-9-25(10-12-26)6-5-23-37-21-2-3-22-37;1-2-8-28(9-3-1)25-34-30-19-17-29(18-20-30)31-11-6-12-33-35-32(36-38(31)33)24-27-15-13-26(14-16-27)10-7-23-37-21-4-5-22-37;1-35(33,34)30-24-15-13-23(14-16-24)25-7-4-8-27-28-26(29-32(25)27)20-22-11-9-21(10-12-22)6-5-19-31-17-2-3-18-31;27-23-8-3-7-22(19-23)24-9-4-10-26-28-25(29-31(24)26)18-21-13-11-20(12-14-21)6-5-17-30-15-1-2-16-30/h4,7-20,36H,2-3,5-6,21-24H2,1H3;1-3,6,8-9,11-20,34H,4-5,7,10,21-25H2;4,7-16,30H,2-3,5-6,17-20H2,1H3;3-4,7-14,19H,1-2,5-6,15-18,27H2.

What are the key properties of N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide?

N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide has a molecular weight of 1984.62 g/mol, XLogP of 21.44, 37 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-methoxy-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 161339968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).