dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane)

C79H73Cl2IN10O8P2Pd — CID 160933494

About dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane)

dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane) (PubChem CID 160933494) has the molecular formula C79H73Cl2IN10O8P2Pd and a molecular weight of 1656.69 g/mol. Its IUPAC name is dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane).

Molecular Properties

• Compound Name: dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane)
• PubChem CID: 160933494
• Molecular Formula: C79H73Cl2IN10O8P2Pd
• Molecular Weight: 1656.69 g/mol
• Exact Mass: 1654.25
• IUPAC Name: dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane)
• SMILES: C.C#C[C@]1(O)CCN(C)C1=O.COc1cc2c(C(N)=O)nn(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)c2cn1.COc1cc2c(C(N)=O)nn(-c3cccc(I)c3)c2cn1.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C21H19N5O4.2C18H15P.C14H11IN4O2.C7H9NO2.CH4.2ClH.Pd/c1-25-9-8-21(29,20(25)28)7-6-13-4-3-5-14(10-13)26-16-12-23-17(30-2)11-15(16)18(24-26)19(22)27;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-21-12-6-10-11(7-17-12)19(18-13(10)14(16)20)9-4-2-3-8(15)5-9;1-3-7(10)4-5-8(2)6(7)9;;;;/h3-5,10-12,29H,8-9H2,1-2H3,(H2,22,27);2*1-15H;2-7H,1H3,(H2,16,20);1,10H,4-5H2,2H3;1H4;2*1H;/q;;;;;;;;+2/p-2/t21-;;;;7-;;;;/m0...0..../s1
• InChIKey: STOMRFDYROKEGW-RXUJBVSSSA-L
• XLogP: 10.72
• TPSA: 247.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1656.69
LogP ≤ 5	10.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane)?

The IUPAC name of dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane) (CID 160933494) is dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane).

What is the SMILES notation for dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane)?

The canonical SMILES for dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane) is C.C#C[C@]1(O)CCN(C)C1=O.COc1cc2c(C(N)=O)nn(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)c2cn1.COc1cc2c(C(N)=O)nn(-c3cccc(I)c3)c2cn1.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane)?

The InChIKey is STOMRFDYROKEGW-RXUJBVSSSA-L. The full InChI is InChI=1S/C21H19N5O4.2C18H15P.C14H11IN4O2.C7H9NO2.CH4.2ClH.Pd/c1-25-9-8-21(29,20(25)28)7-6-13-4-3-5-14(10-13)26-16-12-23-17(30-2)11-15(16)18(24-26)19(22)27;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-21-12-6-10-11(7-17-12)19(18-13(10)14(16)20)9-4-2-3-8(15)5-9;1-3-7(10)4-5-8(2)6(7)9;;;;/h3-5,10-12,29H,8-9H2,1-2H3,(H2,22,27);2*1-15H;2-7H,1H3,(H2,16,20);1,10H,4-5H2,2H3;1H4;2*1H;/q;;;;;;;;+2/p-2/t21-;;;;7-;;;;/m0...0..../s1.

What are the key properties of dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane)?

dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane) has a molecular weight of 1656.69 g/mol, XLogP of 10.72, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;1-(3-iodophenyl)-5-methoxypyrazolo[3,4-c]pyridine-3-carboxamide;methane;bis(triphenylphosphane) is sourced from PubChem (CID 160933494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).