1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one

C22H25N9O — CID 155230944

About 1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one

1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one (PubChem CID 155230944) has the molecular formula C22H25N9O and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one
• PubChem CID: 155230944
• Molecular Formula: C22H25N9O
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.22
• IUPAC Name: 1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one
• SMILES: CC(C)n1cnnc1-c1cccc(-n2ccn(-c3ccc(N4CCNCC4)cn3)c2=O)n1
• InChI: InChI=1S/C22H25N9O/c1-16(2)31-15-25-27-21(31)18-4-3-5-20(26-18)30-13-12-29(22(30)32)19-7-6-17(14-24-19)28-10-8-23-9-11-28/h3-7,12-16,23H,8-11H2,1-2H3
• InChIKey: WTYHKYJLBMSNCL-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 98.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one?

The IUPAC name of 1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one (CID 155230944) is 1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one.

What is the SMILES notation for 1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one?

The canonical SMILES for 1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one is CC(C)n1cnnc1-c1cccc(-n2ccn(-c3ccc(N4CCNCC4)cn3)c2=O)n1.

What is the InChIKey of 1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one?

The InChIKey is WTYHKYJLBMSNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O/c1-16(2)31-15-25-27-21(31)18-4-3-5-20(26-18)30-13-12-29(22(30)32)19-7-6-17(14-24-19)28-10-8-23-9-11-28/h3-7,12-16,23H,8-11H2,1-2H3.

What are the key properties of 1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one?

1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one has a molecular weight of 431.50 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one is sourced from PubChem (CID 155230944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).