sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium

C89H122BrN17NaO8Pd- — CID 162102055

About sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium

sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium (PubChem CID 162102055) has the molecular formula C89H122BrN17NaO8Pd- and a molecular weight of 1767.38 g/mol. Its IUPAC name is sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium.

Molecular Properties

• Compound Name: sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium
• PubChem CID: 162102055
• Molecular Formula: C89H122BrN17NaO8Pd-
• Molecular Weight: 1767.38 g/mol
• Exact Mass: 1764.78
• IUPAC Name: sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium
• SMILES: CC(C)(C)OC(=O)N1CCc2c(c(Br)nn2C2CCOCC2)C1.CC(C)(C)[O-].Cn1cc(-c2ccc3c(c2)CCCC3)cn1.Cn1cc(-c2ccc3c(c2)CCCN3c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cn1.Cn1cc(-c2ccc3c(c2)CCCN3c2nn(C3CCOCC3)c3c2CNCC3)cn1.[CH2-]C.[Na+].[Pd]
• InChI: InChI=1S/C29H38N6O3.C24H30N6O.C16H24BrN3O3.C14H16N2.C4H9O.C2H5.Na.Pd/c1-29(2,3)38-28(36)33-13-9-26-24(19-33)27(31-35(26)23-10-14-37-15-11-23)34-12-5-6-21-16-20(7-8-25(21)34)22-17-30-32(4)18-22;1-28-16-19(14-26-28)17-4-5-22-18(13-17)3-2-10-29(22)24-21-15-25-9-6-23(21)30(27-24)20-7-11-31-12-8-20;1-16(2,3)23-15(21)19-7-4-13-12(10-19)14(17)18-20(13)11-5-8-22-9-6-11;1-16-10-14(9-15-16)13-7-6-11-4-2-3-5-12(11)8-13;1-4(2,3)5;1-2;;/h7-8,16-18,23H,5-6,9-15,19H2,1-4H3;4-5,13-14,16,20,25H,2-3,6-12,15H2,1H3;11H,4-10H2,1-3H3;6-10H,2-5H2,1H3;1-3H3;1H2,2H3;;/q;;;;2*-1;+1
• InChIKey: TVEGHBNTSQBYSP-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 235.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 8
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1767.38
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium?

The IUPAC name of sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium (CID 162102055) is sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium.

What is the SMILES notation for sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium?

The canonical SMILES for sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium is CC(C)(C)OC(=O)N1CCc2c(c(Br)nn2C2CCOCC2)C1.CC(C)(C)[O-].Cn1cc(-c2ccc3c(c2)CCCC3)cn1.Cn1cc(-c2ccc3c(c2)CCCN3c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cn1.Cn1cc(-c2ccc3c(c2)CCCN3c2nn(C3CCOCC3)c3c2CNCC3)cn1.[CH2-]C.[Na+].[Pd].

What is the InChIKey of sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium?

The InChIKey is TVEGHBNTSQBYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O3.C24H30N6O.C16H24BrN3O3.C14H16N2.C4H9O.C2H5.Na.Pd/c1-29(2,3)38-28(36)33-13-9-26-24(19-33)27(31-35(26)23-10-14-37-15-11-23)34-12-5-6-21-16-20(7-8-25(21)34)22-17-30-32(4)18-22;1-28-16-19(14-26-28)17-4-5-22-18(13-17)3-2-10-29(22)24-21-15-25-9-6-23(21)30(27-24)20-7-11-31-12-8-20;1-16(2,3)23-15(21)19-7-4-13-12(10-19)14(17)18-20(13)11-5-8-22-9-6-11;1-16-10-14(9-15-16)13-7-6-11-4-2-3-5-12(11)8-13;1-4(2,3)5;1-2;;/h7-8,16-18,23H,5-6,9-15,19H2,1-4H3;4-5,13-14,16,20,25H,2-3,6-12,15H2,1H3;11H,4-10H2,1-3H3;6-10H,2-5H2,1H3;1-3H3;1H2,2H3;;/q;;;;2*-1;+1;.

What are the key properties of sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium?

sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium has a molecular weight of 1767.38 g/mol, XLogP of 12.62, 8 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl 3-bromo-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;ethane;2-methylpropan-2-olate;6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline;1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole;palladium is sourced from PubChem (CID 162102055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).