5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide

C114H130ClN21O3 — CID 159499100

About 5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide

5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide (PubChem CID 159499100) has the molecular formula C114H130ClN21O3 and a molecular weight of 1877.89 g/mol. Its IUPAC name is 5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: 5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide
• PubChem CID: 159499100
• Molecular Formula: C114H130ClN21O3
• Molecular Weight: 1877.89 g/mol
• Exact Mass: 1876.04
• IUPAC Name: 5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide
• SMILES: CCCCCn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.COc1ccc(COc2cccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)c2)cc1.ClCc1cccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.NC(=O)Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1
• InChI: InChI=1S/C34H36N4O2.C28H36N6.C27H29ClN4.C25H29N7O/c1-39-30-18-16-28(17-19-30)25-40-31-9-4-8-29(24-31)32-10-5-11-34-35-33(36-38(32)34)23-27-14-12-26(13-15-27)7-6-22-37-20-2-3-21-37;1-2-3-4-19-33-22-25(21-29-33)26-10-7-11-28-30-27(31-34(26)28)20-24-14-12-23(13-15-24)9-8-18-32-16-5-6-17-32;28-20-23-6-3-8-24(18-23)25-9-4-10-27-29-26(30-32(25)27)19-22-13-11-21(12-14-22)7-5-17-31-15-1-2-16-31;26-23(33)18-31-17-21(16-27-31)22-6-3-7-25-28-24(29-32(22)25)15-20-10-8-19(9-11-20)5-4-14-30-12-1-2-13-30/h4-5,8-19,24H,2-3,6-7,20-23,25H2,1H3;7,10-15,21-22H,2-6,8-9,16-20H2,1H3;3-4,6,8-14,18H,1-2,5,7,15-17,19-20H2;3,6-11,16-17H,1-2,4-5,12-15,18H2,(H2,26,33)
• InChIKey: LZDUHMOJSJNAKQ-UHFFFAOYSA-N
• XLogP: 20.46
• TPSA: 230.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 39
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.89
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide?

The IUPAC name of 5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide (CID 159499100) is 5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide.

What is the SMILES notation for 5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide?

The canonical SMILES for 5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide is CCCCCn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.COc1ccc(COc2cccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)c2)cc1.ClCc1cccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.NC(=O)Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.

What is the InChIKey of 5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide?

The InChIKey is LZDUHMOJSJNAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O2.C28H36N6.C27H29ClN4.C25H29N7O/c1-39-30-18-16-28(17-19-30)25-40-31-9-4-8-29(24-31)32-10-5-11-34-35-33(36-38(32)34)23-27-14-12-26(13-15-27)7-6-22-37-20-2-3-21-37;1-2-3-4-19-33-22-25(21-29-33)26-10-7-11-28-30-27(31-34(26)28)20-24-14-12-23(13-15-24)9-8-18-32-16-5-6-17-32;28-20-23-6-3-8-24(18-23)25-9-4-10-27-29-26(30-32(25)27)19-22-13-11-21(12-14-22)7-5-17-31-15-1-2-16-31;26-23(33)18-31-17-21(16-27-31)22-6-3-7-25-28-24(29-32(22)25)15-20-10-8-19(9-11-20)5-4-14-30-12-1-2-13-30/h4-5,8-19,24H,2-3,6-7,20-23,25H2,1H3;7,10-15,21-22H,2-6,8-9,16-20H2,1H3;3-4,6,8-14,18H,1-2,5,7,15-17,19-20H2;3,6-11,16-17H,1-2,4-5,12-15,18H2,(H2,26,33).

What are the key properties of 5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide?

5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide has a molecular weight of 1877.89 g/mol, XLogP of 20.46, 39 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(chloromethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-pentylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 159499100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).