[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone

C34H37ClN8O2 — CID 158643850

About [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone

[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 158643850) has the molecular formula C34H37ClN8O2 and a molecular weight of 625.18 g/mol. Its IUPAC name is [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
• PubChem CID: 158643850
• Molecular Formula: C34H37ClN8O2
• Molecular Weight: 625.18 g/mol
• Exact Mass: 624.27
• IUPAC Name: [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
• SMILES: O=C(c1ccc(Cc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCN(CCn2ccnc2)CC1
• InChI: InChI=1S/C34H37ClN8O2/c35-29-9-7-28(8-10-29)34(45)11-15-41(16-12-34)30-2-1-14-43-32(30)37-31(38-43)24-26-3-5-27(6-4-26)33(44)42-22-20-39(21-23-42)18-19-40-17-13-36-25-40/h1-10,13-14,17,25,45H,11-12,15-16,18-24H2
• InChIKey: IASIYFMIQLVAFF-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 95.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.18
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?

The IUPAC name of [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone (CID 158643850) is [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone.

What is the SMILES notation for [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?

The canonical SMILES for [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone is O=C(c1ccc(Cc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCN(CCn2ccnc2)CC1.

What is the InChIKey of [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?

The InChIKey is IASIYFMIQLVAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37ClN8O2/c35-29-9-7-28(8-10-29)34(45)11-15-41(16-12-34)30-2-1-14-43-32(30)37-31(38-43)24-26-3-5-27(6-4-26)33(44)42-22-20-39(21-23-42)18-19-40-17-13-36-25-40/h1-10,13-14,17,25,45H,11-12,15-16,18-24H2.

What are the key properties of [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?

[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 625.18 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 158643850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).