4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine

C₃₃H₄₃F₃N₈O — CID 157025573

About 4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine

4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine (PubChem CID 157025573) has the molecular formula C₃₃H₄₃F₃N₈O and a molecular weight of 624.76 g/mol. Its IUPAC name is 4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine.

Molecular Properties

• Compound Name: 4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine
• PubChem CID: 157025573
• Molecular Formula: C₃₃H₄₃F₃N₈O
• Molecular Weight: 624.76 g/mol
• Exact Mass: 624.35
• IUPAC Name: 4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine
• SMILES: CCCN1CCCC1.CCCNC(=O)c1ccc(Nc2nccn3c(-c4cn(C5CCC5)nc4C(F)(F)F)cnc23)cc1CC
• InChI: InChI=1S/C26H28F3N7O.C7H15N/c1-3-10-31-25(37)19-9-8-17(13-16(19)4-2)33-23-24-32-14-21(35(24)12-11-30-23)20-15-36(18-6-5-7-18)34-22(20)26(27,28)29;1-2-5-8-6-3-4-7-8/h8-9,11-15,18H,3-7,10H2,1-2H3,(H,30,33)(H,31,37);2-7H2,1H3
• InChIKey: JJXCZRVKAMPINV-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 92.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.76
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine?

The IUPAC name of 4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine (CID 157025573) is 4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine.

What is the SMILES notation for 4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine?

The canonical SMILES for 4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine is CCCN1CCCC1.CCCNC(=O)c1ccc(Nc2nccn3c(-c4cn(C5CCC5)nc4C(F)(F)F)cnc23)cc1CC.

What is the InChIKey of 4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine?

The InChIKey is JJXCZRVKAMPINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N7O.C7H15N/c1-3-10-31-25(37)19-9-8-17(13-16(19)4-2)33-23-24-32-14-21(35(24)12-11-30-23)20-15-36(18-6-5-7-18)34-22(20)26(27,28)29;1-2-5-8-6-3-4-7-8/h8-9,11-15,18H,3-7,10H2,1-2H3,(H,30,33)(H,31,37);2-7H2,1H3.

What are the key properties of 4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine?

4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine has a molecular weight of 624.76 g/mol, XLogP of 7.27, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-propylbenzamide;1-propylpyrrolidine is sourced from PubChem (CID 157025573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157025573 — identifiers, structure, computed properties (public domain)

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