N-[(4-methoxyphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[(4-methylphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-(2-phenylethyl)-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline

C102H111N15O — CID 159287342

About N-[(4-methoxyphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[(4-methylphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-(2-phenylethyl)-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline

N-[(4-methoxyphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[(4-methylphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-(2-phenylethyl)-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline (PubChem CID 159287342) has the molecular formula C102H111N15O and a molecular weight of 1563.11 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[(4-methylphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-(2-phenylethyl)-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline.

Molecular Properties

• Compound Name: N-[(4-methoxyphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[(4-methylphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-(2-phenylethyl)-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline
• PubChem CID: 159287342
• Molecular Formula: C102H111N15O
• Molecular Weight: 1563.11 g/mol
• Exact Mass: 1561.91
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[(4-methylphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-(2-phenylethyl)-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline
• SMILES: COc1ccc(CNc2ccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2)cc1.Cc1ccc(CNc2ccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2)cc1.c1ccc(CCNc2ccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2)cc1
• InChI: InChI=1S/C34H37N5O.2C34H37N5/c1-40-31-19-13-28(14-20-31)25-35-30-17-15-29(16-18-30)32-7-4-8-34-36-33(37-39(32)34)24-27-11-9-26(10-12-27)6-5-23-38-21-2-3-22-38;1-26-9-11-29(12-10-26)25-35-31-19-17-30(18-20-31)32-7-4-8-34-36-33(37-39(32)34)24-28-15-13-27(14-16-28)6-5-23-38-21-2-3-22-38;1-2-8-27(9-3-1)21-22-35-31-19-17-30(18-20-31)32-11-6-12-34-36-33(37-39(32)34)26-29-15-13-28(14-16-29)10-7-25-38-23-4-5-24-38/h4,7-20,35H,2-3,5-6,21-25H2,1H3;4,7-20,35H,2-3,5-6,21-25H2,1H3;1-3,6,8-9,11-20,35H,4-5,7,10,21-26H2
• InChIKey: KZRFFNSPYCLVHL-UHFFFAOYSA-N
• XLogP: 20.24
• TPSA: 145.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 32
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1563.11
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[(4-methylphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-(2-phenylethyl)-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline (CID 159287342) is N-[(4-methoxyphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[(4-methylphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-(2-phenylethyl)-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline.

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

The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[(4-methylphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-(2-phenylethyl)-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline is COc1ccc(CNc2ccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2)cc1.Cc1ccc(CNc2ccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2)cc1.c1ccc(CCNc2ccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2)cc1.

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

The InChIKey is KZRFFNSPYCLVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O.2C34H37N5/c1-40-31-19-13-28(14-20-31)25-35-30-17-15-29(16-18-30)32-7-4-8-34-36-33(37-39(32)34)24-27-11-9-26(10-12-27)6-5-23-38-21-2-3-22-38;1-26-9-11-29(12-10-26)25-35-31-19-17-30(18-20-31)32-7-4-8-34-36-33(37-39(32)34)24-28-15-13-27(14-16-28)6-5-23-38-21-2-3-22-38;1-2-8-27(9-3-1)21-22-35-31-19-17-30(18-20-31)32-11-6-12-34-36-33(37-39(32)34)26-29-15-13-28(14-16-29)10-7-25-38-23-4-5-24-38/h4,7-20,35H,2-3,5-6,21-25H2,1H3;4,7-20,35H,2-3,5-6,21-25H2,1H3;1-3,6,8-9,11-20,35H,4-5,7,10,21-26H2.

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

N-[(4-methoxyphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[(4-methylphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-(2-phenylethyl)-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline has a molecular weight of 1563.11 g/mol, XLogP of 20.24, 32 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxyphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-[(4-methylphenyl)methyl]-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-(2-phenylethyl)-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline is sourced from PubChem (CID 159287342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).