2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide

C24H27F3N6O — CID 157025404

About 2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide

2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide (PubChem CID 157025404) has the molecular formula C24H27F3N6O and a molecular weight of 472.52 g/mol. Its IUPAC name is 2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide.

Molecular Properties

• Compound Name: 2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
• PubChem CID: 157025404
• Molecular Formula: C24H27F3N6O
• Molecular Weight: 472.52 g/mol
• Exact Mass: 472.22
• IUPAC Name: 2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
• SMILES: C/C=C(C(=N\C)\C(F)(F)F)/c1cnc2c(Nc3ccc(C(=O)NCCC)c(CC)c3)nccn12
• InChI: InChI=1S/C24H27F3N6O/c1-5-10-30-23(34)18-9-8-16(13-15(18)6-2)32-21-22-31-14-19(33(22)12-11-29-21)17(7-3)20(28-4)24(25,26)27/h7-9,11-14H,5-6,10H2,1-4H3,(H,29,32)(H,30,34)/b17-7-,28-20-
• InChIKey: MBCAWSVCWHHAQQ-UTZVVTRBSA-N
• XLogP: 5.21
• TPSA: 83.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.52
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?

The IUPAC name of 2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide (CID 157025404) is 2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide.

What is the SMILES notation for 2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?

The canonical SMILES for 2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide is C/C=C(C(=N\C)\C(F)(F)F)/c1cnc2c(Nc3ccc(C(=O)NCCC)c(CC)c3)nccn12.

What is the InChIKey of 2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?

The InChIKey is MBCAWSVCWHHAQQ-UTZVVTRBSA-N. The full InChI is InChI=1S/C24H27F3N6O/c1-5-10-30-23(34)18-9-8-16(13-15(18)6-2)32-21-22-31-14-19(33(22)12-11-29-21)17(7-3)20(28-4)24(25,26)27/h7-9,11-14H,5-6,10H2,1-4H3,(H,29,32)(H,30,34)/b17-7-,28-20-.

What are the key properties of 2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?

2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide has a molecular weight of 472.52 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide is sourced from PubChem (CID 157025404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).