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

C31H35ClN6O3 — CID 148755054

About [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-hydroxyethyl)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-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 148755054) has the molecular formula C31H35ClN6O3 and a molecular weight of 575.11 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-hydroxyethyl)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-hydroxyethyl)piperazin-1-yl]methanone
• PubChem CID: 148755054
• Molecular Formula: C31H35ClN6O3
• Molecular Weight: 575.11 g/mol
• Exact Mass: 574.25
• 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-hydroxyethyl)piperazin-1-yl]methanone
• SMILES: O=C(c1ccc(Cc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCN(CCO)CC1
• InChI: InChI=1S/C31H35ClN6O3/c32-26-9-7-25(8-10-26)31(41)11-14-36(15-12-31)27-2-1-13-38-29(27)33-28(34-38)22-23-3-5-24(6-4-23)30(40)37-18-16-35(17-19-37)20-21-39/h1-10,13,39,41H,11-12,14-22H2
• InChIKey: OFLGFWQJXYHTHG-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 97.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.11
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-hydroxyethyl)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-hydroxyethyl)piperazin-1-yl]methanone (CID 148755054) is [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-hydroxyethyl)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-hydroxyethyl)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-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1ccc(Cc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCN(CCO)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-hydroxyethyl)piperazin-1-yl]methanone?

The InChIKey is OFLGFWQJXYHTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClN6O3/c32-26-9-7-25(8-10-26)31(41)11-14-36(15-12-31)27-2-1-13-38-29(27)33-28(34-38)22-23-3-5-24(6-4-23)30(40)37-18-16-35(17-19-37)20-21-39/h1-10,13,39,41H,11-12,14-22H2.

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-hydroxyethyl)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-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 575.11 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 148755054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).