tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane)

C135H118BrCl3N20O7P4PdS3 — CID 159478582

About tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane)

tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane) (PubChem CID 159478582) has the molecular formula C135H118BrCl3N20O7P4PdS3 and a molecular weight of 2645.34 g/mol. Its IUPAC name is tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane)
• PubChem CID: 159478582
• Molecular Formula: C135H118BrCl3N20O7P4PdS3
• Molecular Weight: 2645.34 g/mol
• Exact Mass: 2640.49
• IUPAC Name: tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane)
• SMILES: CC(C)n1cc(-c2nnc(N(C(=O)OC(C)(C)C)c3ccc4c(cnn4C(=O)OC(C)(C)C)c3Cl)s2)cc(Br)c1=O.CC(C)n1cc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cc(C#N)c1=O.CC(C)n1cc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cc(C#N)c1=O.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C27H30BrClN6O5S.2C18H14ClN7OS.4C18H15P.Pd/c1-14(2)33-13-15(11-17(28)22(33)36)21-31-32-23(41-21)34(24(37)39-26(3,4)5)19-10-9-18-16(20(19)29)12-30-35(18)25(38)40-27(6,7)8;2*1-9(2)26-8-11(5-10(6-20)17(26)27)16-24-25-18(28-16)22-14-4-3-13-12(15(14)19)7-21-23-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h9-14H,1-8H3;2*3-5,7-9H,1-2H3,(H,21,23)(H,22,25);4*1-15H
• InChIKey: LWRWUQJRVQEPPM-UHFFFAOYSA-N
• XLogP: 29.53
• TPSA: 346.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2645.34
LogP ≤ 5	29.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane)?

The IUPAC name of tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane) (CID 159478582) is tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane) is CC(C)n1cc(-c2nnc(N(C(=O)OC(C)(C)C)c3ccc4c(cnn4C(=O)OC(C)(C)C)c3Cl)s2)cc(Br)c1=O.CC(C)n1cc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cc(C#N)c1=O.CC(C)n1cc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cc(C#N)c1=O.[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 tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane)?

The InChIKey is LWRWUQJRVQEPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30BrClN6O5S.2C18H14ClN7OS.4C18H15P.Pd/c1-14(2)33-13-15(11-17(28)22(33)36)21-31-32-23(41-21)34(24(37)39-26(3,4)5)19-10-9-18-16(20(19)29)12-30-35(18)25(38)40-27(6,7)8;2*1-9(2)26-8-11(5-10(6-20)17(26)27)16-24-25-18(28-16)22-14-4-3-13-12(15(14)19)7-21-23-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h9-14H,1-8H3;2*3-5,7-9H,1-2H3,(H,21,23)(H,22,25);4*1-15H;.

What are the key properties of tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane)?

tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane) has a molecular weight of 2645.34 g/mol, XLogP of 29.53, 24 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-[[5-(5-bromo-6-oxo-1-propan-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloroindazole-1-carboxylate;bis(5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile);palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159478582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).