1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane)

C164H182BClN24O5P4PdSi2 — CID 165079620

About 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane)

1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane) (PubChem CID 165079620) has the molecular formula C164H182BClN24O5P4PdSi2 and a molecular weight of 2902.18 g/mol. Its IUPAC name is 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 165079620
• Molecular Formula: C164H182BClN24O5P4PdSi2
• Molecular Weight: 2902.18 g/mol
• Exact Mass: 2899.20
• IUPAC Name: 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane)
• SMILES: CC1(C)OB(c2cnn(CCO[Si](C)(C)C(C)(C)C)c2)OC1(C)C.CCC(C)n1ncc2nc(-c3cnn(CCO)c3)nc(N[C@H](C)c3cnc4ccccc4c3)c21.CCC(C)n1ncc2nc(-c3cnn(CCO[Si](C)(C)C(C)C)c3)nc(N[C@H](C)c3cnc4ccccc4c3)c21.CCC(C)n1ncc2nc(Cl)nc(N[C@H](C)c3cnc4ccccc4c3)c21.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C30H40N8OSi.C25H28N8O.C20H21ClN6.4C18H15P.C17H33BN2O3Si.Pd/c1-8-21(4)38-28-27(18-33-38)35-29(25-17-32-37(19-25)13-14-39-40(6,7)20(2)3)36-30(28)34-22(5)24-15-23-11-9-10-12-26(23)31-16-24;1-4-16(2)33-23-22(14-28-33)30-24(20-13-27-32(15-20)9-10-34)31-25(23)29-17(3)19-11-18-7-5-6-8-21(18)26-12-19;1-4-12(2)27-18-17(11-23-27)25-20(21)26-19(18)24-13(3)15-9-14-7-5-6-8-16(14)22-10-15;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2,3)24(8,9)21-11-10-20-13-14(12-19-20)18-22-16(4,5)17(6,7)23-18;/h9-12,15-22H,8,13-14H2,1-7H3,(H,34,35,36);5-8,11-17,34H,4,9-10H2,1-3H3,(H,29,30,31);5-13H,4H2,1-3H3,(H,24,25,26);4*1-15H;12-13H,10-11H2,1-9H3;/t21?,22-;16?,17-;12?,13-;;;;;;/m111....../s1
• InChIKey: UXBPIFDNLUZIEX-WYMOJCDRSA-N
• XLogP: 33.54
• TPSA: 316.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 41
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2902.18
LogP ≤ 5	33.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane) (CID 165079620) is 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane) is CC1(C)OB(c2cnn(CCO[Si](C)(C)C(C)(C)C)c2)OC1(C)C.CCC(C)n1ncc2nc(-c3cnn(CCO)c3)nc(N[C@H](C)c3cnc4ccccc4c3)c21.CCC(C)n1ncc2nc(-c3cnn(CCO[Si](C)(C)C(C)C)c3)nc(N[C@H](C)c3cnc4ccccc4c3)c21.CCC(C)n1ncc2nc(Cl)nc(N[C@H](C)c3cnc4ccccc4c3)c21.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane)?

The InChIKey is UXBPIFDNLUZIEX-WYMOJCDRSA-N. The full InChI is InChI=1S/C30H40N8OSi.C25H28N8O.C20H21ClN6.4C18H15P.C17H33BN2O3Si.Pd/c1-8-21(4)38-28-27(18-33-38)35-29(25-17-32-37(19-25)13-14-39-40(6,7)20(2)3)36-30(28)34-22(5)24-15-23-11-9-10-12-26(23)31-16-24;1-4-16(2)33-23-22(14-28-33)30-24(20-13-27-32(15-20)9-10-34)31-25(23)29-17(3)19-11-18-7-5-6-8-21(18)26-12-19;1-4-12(2)27-18-17(11-23-27)25-20(21)26-19(18)24-13(3)15-9-14-7-5-6-8-16(14)22-10-15;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2,3)24(8,9)21-11-10-20-13-14(12-19-20)18-22-16(4,5)17(6,7)23-18;/h9-12,15-22H,8,13-14H2,1-7H3,(H,34,35,36);5-8,11-17,34H,4,9-10H2,1-3H3,(H,29,30,31);5-13H,4H2,1-3H3,(H,24,25,26);4*1-15H;12-13H,10-11H2,1-9H3;/t21?,22-;16?,17-;12?,13-;;;;;;/m111....../s1.

What are the key properties of 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane)?

1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2902.18 g/mol, XLogP of 33.54, 41 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 165079620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).