6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one

C29H34N6O2 — CID 155796366

About 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one

6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one (PubChem CID 155796366) has the molecular formula C29H34N6O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one.

Molecular Properties

• Compound Name: 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one
• PubChem CID: 155796366
• Molecular Formula: C29H34N6O2
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.27
• IUPAC Name: 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one
• SMILES: CCC(=O)CCCN1CCN(C(=O)CCc2cn[nH]c2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
• InChI: InChI=1S/C29H34N6O2/c1-2-25(36)8-5-13-34-14-15-35(28(37)12-9-21-17-31-32-18-21)27(20-34)29-30-19-26(33-29)24-11-10-22-6-3-4-7-23(22)16-24/h3-4,6-7,10-11,16-19,27H,2,5,8-9,12-15,20H2,1H3,(H,30,33)(H,31,32)
• InChIKey: IPWLREGNOLKUDR-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 97.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one?

The IUPAC name of 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one (CID 155796366) is 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one.

What is the SMILES notation for 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one?

The canonical SMILES for 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one is CCC(=O)CCCN1CCN(C(=O)CCc2cn[nH]c2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1.

What is the InChIKey of 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one?

The InChIKey is IPWLREGNOLKUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O2/c1-2-25(36)8-5-13-34-14-15-35(28(37)12-9-21-17-31-32-18-21)27(20-34)29-30-19-26(33-29)24-11-10-22-6-3-4-7-23(22)16-24/h3-4,6-7,10-11,16-19,27H,2,5,8-9,12-15,20H2,1H3,(H,30,33)(H,31,32).

What are the key properties of 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one?

6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one has a molecular weight of 498.63 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one is sourced from PubChem (CID 155796366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).