[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane

C22H25Cl2N5OS — CID 144748044

About [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane

[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane (PubChem CID 144748044) has the molecular formula C22H25Cl2N5OS and a molecular weight of 478.45 g/mol. Its IUPAC name is [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane.

Molecular Properties

• Compound Name: [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane
• PubChem CID: 144748044
• Molecular Formula: C22H25Cl2N5OS
• Molecular Weight: 478.45 g/mol
• Exact Mass: 477.12
• IUPAC Name: [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane
• SMILES: C=S(C)(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CC1
• InChI: InChI=1S/C22H25Cl2N5OS/c1-31(2,30)28-9-7-27(8-10-28)14-20-22(17-6-5-16(23)11-18(17)24)26-21-12-25-19(13-29(20)21)15-3-4-15/h5-6,11-13,15H,1,3-4,7-10,14H2,2H3
• InChIKey: SVISLFXRFCJDEY-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 53.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.45
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane?

The IUPAC name of [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane (CID 144748044) is [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane.

What is the SMILES notation for [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane?

The canonical SMILES for [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane is C=S(C)(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CC1.

What is the InChIKey of [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane?

The InChIKey is SVISLFXRFCJDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5OS/c1-31(2,30)28-9-7-27(8-10-28)14-20-22(17-6-5-16(23)11-18(17)24)26-21-12-25-19(13-29(20)21)15-3-4-15/h5-6,11-13,15H,1,3-4,7-10,14H2,2H3.

What are the key properties of [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane?

[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane has a molecular weight of 478.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane is sourced from PubChem (CID 144748044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).