dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane)

C85H87BrCl2N8O10P2Pd — CID 157203672

About dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane)

dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane) (PubChem CID 157203672) has the molecular formula C85H87BrCl2N8O10P2Pd and a molecular weight of 1699.85 g/mol. Its IUPAC name is dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane).

Molecular Properties

• Compound Name: dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane)
• PubChem CID: 157203672
• Molecular Formula: C85H87BrCl2N8O10P2Pd
• Molecular Weight: 1699.85 g/mol
• Exact Mass: 1696.36
• IUPAC Name: dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane)
• SMILES: C.C#C[C@]1(O)CCN(C)C1=O.COC(=O)c1nn(-c2cccc(Br)c2)c2c1CN(C1COC1)CC2.COC(=O)c1nn(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)c2c1CN(C1COC1)CC2.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C24H26N4O5.2C18H15P.C17H18BrN3O3.C7H9NO2.CH4.2ClH.Pd/c1-26-11-9-24(31,23(26)30)8-6-16-4-3-5-17(12-16)28-20-7-10-27(18-14-33-15-18)13-19(20)21(25-28)22(29)32-2;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-23-17(22)16-14-8-20(13-9-24-10-13)6-5-15(14)21(19-16)12-4-2-3-11(18)7-12;1-3-7(10)4-5-8(2)6(7)9;;;;/h3-5,12,18,31H,7,9-11,13-15H2,1-2H3;2*1-15H;2-4,7,13H,5-6,8-10H2,1H3;1,10H,4-5H2,2H3;1H4;2*1H;/q;;;;;;;;+2/p-2/t24-;;;;7-;;;;/m0...0..../s1
• InChIKey: ARCCBRUTPIZNCI-MESUDTHJSA-L
• XLogP: 10.65
• TPSA: 194.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1699.85
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'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;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane)?

The IUPAC name of dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane) (CID 157203672) is dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane).

What is the SMILES notation for dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane)?

The canonical SMILES for dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane) is C.C#C[C@]1(O)CCN(C)C1=O.COC(=O)c1nn(-c2cccc(Br)c2)c2c1CN(C1COC1)CC2.COC(=O)c1nn(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)c2c1CN(C1COC1)CC2.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;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane)?

The InChIKey is ARCCBRUTPIZNCI-MESUDTHJSA-L. The full InChI is InChI=1S/C24H26N4O5.2C18H15P.C17H18BrN3O3.C7H9NO2.CH4.2ClH.Pd/c1-26-11-9-24(31,23(26)30)8-6-16-4-3-5-17(12-16)28-20-7-10-27(18-14-33-15-18)13-19(20)21(25-28)22(29)32-2;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-23-17(22)16-14-8-20(13-9-24-10-13)6-5-15(14)21(19-16)12-4-2-3-11(18)7-12;1-3-7(10)4-5-8(2)6(7)9;;;;/h3-5,12,18,31H,7,9-11,13-15H2,1-2H3;2*1-15H;2-4,7,13H,5-6,8-10H2,1H3;1,10H,4-5H2,2H3;1H4;2*1H;/q;;;;;;;;+2/p-2/t24-;;;;7-;;;;/m0...0..../s1.

What are the key properties of dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane)?

dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane) has a molecular weight of 1699.85 g/mol, XLogP of 10.65, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for dichloropalladium;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-(3-bromophenyl)-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;bis(triphenylphosphane) is sourced from PubChem (CID 157203672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).