1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone

C23H23ClN8O — CID 52998556

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone (PubChem CID 52998556) has the molecular formula C23H23ClN8O and a molecular weight of 462.95 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone.

Molecular Properties

• Compound Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone
• PubChem CID: 52998556
• Molecular Formula: C23H23ClN8O
• Molecular Weight: 462.95 g/mol
• Exact Mass: 462.17
• IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone
• SMILES: Cc1cc(NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n2nc(-c3cccnc3)nc2n1
• InChI: InChI=1S/C23H23ClN8O/c1-16-12-20(32-23(27-16)28-22(29-32)17-4-3-7-25-14-17)26-15-21(33)31-10-8-30(9-11-31)19-6-2-5-18(24)13-19/h2-7,12-14,26H,8-11,15H2,1H3
• InChIKey: KYALRBFCNRZGLQ-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 91.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.95
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone?

The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone (CID 52998556) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone.

What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone?

The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone is Cc1cc(NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n2nc(-c3cccnc3)nc2n1.

What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone?

The InChIKey is KYALRBFCNRZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN8O/c1-16-12-20(32-23(27-16)28-22(29-32)17-4-3-7-25-14-17)26-15-21(33)31-10-8-30(9-11-31)19-6-2-5-18(24)13-19/h2-7,12-14,26H,8-11,15H2,1H3.

What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone?

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone has a molecular weight of 462.95 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone is sourced from PubChem (CID 52998556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).