carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane

C59H63Cl2F2N12O6PdS2- — CID 157354319

About carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane

carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane (PubChem CID 157354319) has the molecular formula C59H63Cl2F2N12O6PdS2- and a molecular weight of 1315.69 g/mol. Its IUPAC name is carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane.

Molecular Properties

• Compound Name: carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane
• PubChem CID: 157354319
• Molecular Formula: C59H63Cl2F2N12O6PdS2-
• Molecular Weight: 1315.69 g/mol
• Exact Mass: 1313.28
• IUPAC Name: carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane
• SMILES: CN(C(=O)CCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc2ccccc2cn1)Cc1ncc2cnccn12.CN(C(=O)CCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc2ccccc2cn1)Cc1ncc2n1CCNC2.S.S.[CH3-].[Pd]
• InChI: InChI=1S/C29H30ClFN6O3.C29H26ClFN6O3.CH3.Pd.2H2S/c2*1-36(27(38)10-9-19-7-4-8-24(31)28(19)30)22(14-26-34-17-23-16-32-11-12-37(23)26)18-40-29(39)35-25-13-20-5-2-3-6-21(20)15-33-25;;;;/h2-8,13,15,17,22,32H,9-12,14,16,18H2,1H3,(H,33,35,39);2-8,11-13,15-17,22H,9-10,14,18H2,1H3,(H,33,35,39);1H3;;2*1H2/q;;-1;;;/t2*22-;;;;/m00..../s1
• InChIKey: RLYYIIXVCURKFX-SAHFAVPOSA-N
• XLogP: 10.57
• TPSA: 203.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1315.69
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane?

The IUPAC name of carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane (CID 157354319) is carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane.

What is the SMILES notation for carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane?

The canonical SMILES for carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane is CN(C(=O)CCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc2ccccc2cn1)Cc1ncc2cnccn12.CN(C(=O)CCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc2ccccc2cn1)Cc1ncc2n1CCNC2.S.S.[CH3-].[Pd].

What is the InChIKey of carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane?

The InChIKey is RLYYIIXVCURKFX-SAHFAVPOSA-N. The full InChI is InChI=1S/C29H30ClFN6O3.C29H26ClFN6O3.CH3.Pd.2H2S/c2*1-36(27(38)10-9-19-7-4-8-24(31)28(19)30)22(14-26-34-17-23-16-32-11-12-37(23)26)18-40-29(39)35-25-13-20-5-2-3-6-21(20)15-33-25;;;;/h2-8,13,15,17,22,32H,9-12,14,16,18H2,1H3,(H,33,35,39);2-8,11-13,15-17,22H,9-10,14,18H2,1H3,(H,33,35,39);1H3;;2*1H2/q;;-1;;;/t2*22-;;;;/m00..../s1.

What are the key properties of carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane?

carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane has a molecular weight of 1315.69 g/mol, XLogP of 10.57, 18 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-imidazo[1,5-a]pyrazin-3-ylpropyl] N-isoquinolin-3-ylcarbamate;[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)propyl] N-isoquinolin-3-ylcarbamate;palladium;sulfane is sourced from PubChem (CID 157354319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).