(3-methylcyclobutyl)-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone

C32H32F3N7O2 — CID 168822726

About (3-methylcyclobutyl)-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone

(3-methylcyclobutyl)-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone (PubChem CID 168822726) has the molecular formula C32H32F3N7O2 and a molecular weight of 603.65 g/mol. Its IUPAC name is (3-methylcyclobutyl)-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-methylcyclobutyl)-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone
• PubChem CID: 168822726
• Molecular Formula: C32H32F3N7O2
• Molecular Weight: 603.65 g/mol
• Exact Mass: 603.26
• IUPAC Name: (3-methylcyclobutyl)-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone
• SMILES: C#CCn1cc(-c2cnc3c(Cc4ccc(C(=O)N5CCN(C(=O)C6CC(C)C6)CC5)c(C)c4)nccn23)c(C(F)(F)F)n1
• InChI: InChI=1S/C32H32F3N7O2/c1-4-8-41-19-25(28(38-41)32(33,34)35)27-18-37-29-26(36-7-9-42(27)29)17-22-5-6-24(21(3)16-22)31(44)40-12-10-39(11-13-40)30(43)23-14-20(2)15-23/h1,5-7,9,16,18-20,23H,8,10-15,17H2,2-3H3
• InChIKey: UWBISFYIONNOFO-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 88.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.65
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (3-methylcyclobutyl)-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone (CID 168822726) is (3-methylcyclobutyl)-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone.

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

The canonical SMILES for (3-methylcyclobutyl)-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone is C#CCn1cc(-c2cnc3c(Cc4ccc(C(=O)N5CCN(C(=O)C6CC(C)C6)CC5)c(C)c4)nccn23)c(C(F)(F)F)n1.

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

The InChIKey is UWBISFYIONNOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N7O2/c1-4-8-41-19-25(28(38-41)32(33,34)35)27-18-37-29-26(36-7-9-42(27)29)17-22-5-6-24(21(3)16-22)31(44)40-12-10-39(11-13-40)30(43)23-14-20(2)15-23/h1,5-7,9,16,18-20,23H,8,10-15,17H2,2-3H3.

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

(3-methylcyclobutyl)-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone has a molecular weight of 603.65 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methylcyclobutyl)-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 168822726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).