cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone

C34H40F3N7O2 — CID 168822659

About cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone

cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone (PubChem CID 168822659) has the molecular formula C34H40F3N7O2 and a molecular weight of 635.74 g/mol. Its IUPAC name is cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone
• PubChem CID: 168822659
• Molecular Formula: C34H40F3N7O2
• Molecular Weight: 635.74 g/mol
• Exact Mass: 635.32
• IUPAC Name: cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone
• SMILES: CCCn1cc(-c2cnc3c(Cc4ccc(C(=O)N5CCN(C(=O)C6CCCCC6)CC5)c(CC)c4)nccn23)c(C(F)(F)F)n1
• InChI: InChI=1S/C34H40F3N7O2/c1-3-13-43-22-27(30(40-43)34(35,36)37)29-21-39-31-28(38-12-14-44(29)31)20-23-10-11-26(24(4-2)19-23)33(46)42-17-15-41(16-18-42)32(45)25-8-6-5-7-9-25/h10-12,14,19,21-22,25H,3-9,13,15-18,20H2,1-2H3
• InChIKey: SFXVSADKLWLLAO-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 88.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.74
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone?

The IUPAC name of cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone (CID 168822659) is cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone.

What is the SMILES notation for cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone?

The canonical SMILES for cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone is CCCn1cc(-c2cnc3c(Cc4ccc(C(=O)N5CCN(C(=O)C6CCCCC6)CC5)c(CC)c4)nccn23)c(C(F)(F)F)n1.

What is the InChIKey of cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone?

The InChIKey is SFXVSADKLWLLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40F3N7O2/c1-3-13-43-22-27(30(40-43)34(35,36)37)29-21-39-31-28(38-12-14-44(29)31)20-23-10-11-26(24(4-2)19-23)33(46)42-17-15-41(16-18-42)32(45)25-8-6-5-7-9-25/h10-12,14,19,21-22,25H,3-9,13,15-18,20H2,1-2H3.

What are the key properties of cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone?

cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone has a molecular weight of 635.74 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 168822659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).