carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium

C53H63N8O4Pd- — CID 159298767

About carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium

carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium (PubChem CID 159298767) has the molecular formula C53H63N8O4Pd- and a molecular weight of 982.56 g/mol. Its IUPAC name is carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium.

Molecular Properties

• Compound Name: carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium
• PubChem CID: 159298767
• Molecular Formula: C53H63N8O4Pd-
• Molecular Weight: 982.56 g/mol
• Exact Mass: 981.40
• IUPAC Name: carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium
• SMILES: CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5=CCOCC5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.[CH3-].[H][H].[Pd]
• InChI: InChI=1S/C26H30N4O2.C26H28N4O2.CH3.Pd.H2/c2*1-2-24(31)29-10-11-30-23(16-29)25(28-26(30)18-6-7-18)20-5-3-4-19-14-22(27-15-21(19)20)17-8-12-32-13-9-17;;;/h3-5,14-15,17-18H,2,6-13,16H2,1H3;3-5,8,14-15,18H,2,6-7,9-13,16H2,1H3;1H3;;1H/q;;-1
• InChIKey: YKRCWXIWZCNNKU-UHFFFAOYSA-N
• XLogP: 9.85
• TPSA: 120.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	982.56
LogP ≤ 5	9.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium?

The IUPAC name of carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium (CID 159298767) is carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium.

What is the SMILES notation for carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium?

The canonical SMILES for carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium is CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5=CCOCC5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.[CH3-].[H][H].[Pd].

What is the InChIKey of carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium?

The InChIKey is YKRCWXIWZCNNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2.C26H28N4O2.CH3.Pd.H2/c2*1-2-24(31)29-10-11-30-23(16-29)25(28-26(30)18-6-7-18)20-5-3-4-19-14-22(27-15-21(19)20)17-8-12-32-13-9-17;;;/h3-5,14-15,17-18H,2,6-13,16H2,1H3;3-5,8,14-15,18H,2,6-7,9-13,16H2,1H3;1H3;;1H/q;;-1;;.

What are the key properties of carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium?

carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium has a molecular weight of 982.56 g/mol, XLogP of 9.85, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;molecular hydrogen;palladium is sourced from PubChem (CID 159298767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).