2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+)

C116H130BrN21O3Pt — CID 157227811

IUPAC2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+)
SMILESCCc1[nH]nc(-c2cccc(-c3cc(-c4cccc(-c5n[nH]c(CC)c5C)n4)c(C)cc3C)n2)c1C.CCc1n[n-]c(-c2cccc(-c3cc(-c4cccc(-c5[n-]nc(CC)c5C)n4)c(C)cc3C)n2)c1C.CCc1nn(C2CCCCO2)c(-c2cccc(-c3cc(-c4cccc(-c5c(C)c(CC)nn5C5CCCCO5)n4)c(C)cc3C)n2)c1C.CCc1nn(C2CCCCO2)c(-c2cccc(Br)n2)c1C.[Pt+2]
InChIInChI=1S/C40H48N6O2.C30H32N6.C30H30N6.C16H20BrN3O.Pt/c1-7-31-27(5)39(45(43-31)37-19-9-11-21-47-37)35-17-13-15-33(41-35)29-24-30(26(4)23-25(29)3)34-16-14-18-36(42-34)40-28(6)32(8-2)44-46(40)38-20-10-12-22-48-38;2*1-7-23-19(5)29(35-33-23)27-13-9-11-25(31-27)21-16-22(18(4)15-17(21)3)26-12-10-14-28(32-26)30-20(6)24(8-2)34-36-30;1-3-12-11(2)16(13-7-6-8-14(17)18-13)20(19-12)15-9-4-5-10-21-15;/h13-18,23-24,37-38H,7-12,19-22H2,1-6H3;9-16H,7-8H2,1-6H3,(H,33,35)(H,34,36);9-16H,7-8H2,1-6H3;6-8,15H,3-5,9-10H2,1-2H3;/q;;-2;;+2
InChIKeyATSZXCFDYJAXBQ-UHFFFAOYSA-N
MW2141.44 g/mol
LogP26.73
Rot. Bonds23

About 2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+)

2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+) (PubChem CID 157227811) has the molecular formula C116H130BrN21O3Pt and a molecular weight of 2141.44 g/mol. Its IUPAC name is 2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+).

Molecular Properties

Compound Name2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+)
PubChem CID157227811
Molecular FormulaC116H130BrN21O3Pt
Molecular Weight2141.44 g/mol
Exact Mass2138.95
IUPAC Name2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+)
SMILESCCc1[nH]nc(-c2cccc(-c3cc(-c4cccc(-c5n[nH]c(CC)c5C)n4)c(C)cc3C)n2)c1C.CCc1n[n-]c(-c2cccc(-c3cc(-c4cccc(-c5[n-]nc(CC)c5C)n4)c(C)cc3C)n2)c1C.CCc1nn(C2CCCCO2)c(-c2cccc(-c3cc(-c4cccc(-c5c(C)c(CC)nn5C5CCCCO5)n4)c(C)cc3C)n2)c1C.CCc1nn(C2CCCCO2)c(-c2cccc(Br)n2)c1C.[Pt+2]
InChIInChI=1S/C40H48N6O2.C30H32N6.C30H30N6.C16H20BrN3O.Pt/c1-7-31-27(5)39(45(43-31)37-19-9-11-21-47-37)35-17-13-15-33(41-35)29-24-30(26(4)23-25(29)3)34-16-14-18-36(42-34)40-28(6)32(8-2)44-46(40)38-20-10-12-22-48-38;2*1-7-23-19(5)29(35-33-23)27-13-9-11-25(31-27)21-16-22(18(4)15-17(21)3)26-12-10-14-28(32-26)30-20(6)24(8-2)34-36-30;1-3-12-11(2)16(13-7-6-8-14(17)18-13)20(19-12)15-9-4-5-10-21-15;/h13-18,23-24,37-38H,7-12,19-22H2,1-6H3;9-16H,7-8H2,1-6H3,(H,33,35)(H,34,36);9-16H,7-8H2,1-6H3;6-8,15H,3-5,9-10H2,1-2H3;/q;;-2;;+2
InChIKeyATSZXCFDYJAXBQ-UHFFFAOYSA-N
XLogP26.73
TPSA282.72 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms142
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002141.44
LogP ≤ 526.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+)?
The IUPAC name of 2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+) (CID 157227811) is 2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+).
What is the SMILES notation for 2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+)?
The canonical SMILES for 2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+) is CCc1[nH]nc(-c2cccc(-c3cc(-c4cccc(-c5n[nH]c(CC)c5C)n4)c(C)cc3C)n2)c1C.CCc1n[n-]c(-c2cccc(-c3cc(-c4cccc(-c5[n-]nc(CC)c5C)n4)c(C)cc3C)n2)c1C.CCc1nn(C2CCCCO2)c(-c2cccc(-c3cc(-c4cccc(-c5c(C)c(CC)nn5C5CCCCO5)n4)c(C)cc3C)n2)c1C.CCc1nn(C2CCCCO2)c(-c2cccc(Br)n2)c1C.[Pt+2].
What is the InChIKey of 2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+)?
The InChIKey is ATSZXCFDYJAXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N6O2.C30H32N6.C30H30N6.C16H20BrN3O.Pt/c1-7-31-27(5)39(45(43-31)37-19-9-11-21-47-37)35-17-13-15-33(41-35)29-24-30(26(4)23-25(29)3)34-16-14-18-36(42-34)40-28(6)32(8-2)44-46(40)38-20-10-12-22-48-38;2*1-7-23-19(5)29(35-33-23)27-13-9-11-25(31-27)21-16-22(18(4)15-17(21)3)26-12-10-14-28(32-26)30-20(6)24(8-2)34-36-30;1-3-12-11(2)16(13-7-6-8-14(17)18-13)20(19-12)15-9-4-5-10-21-15;/h13-18,23-24,37-38H,7-12,19-22H2,1-6H3;9-16H,7-8H2,1-6H3,(H,33,35)(H,34,36);9-16H,7-8H2,1-6H3;6-8,15H,3-5,9-10H2,1-2H3;/q;;-2;;+2.
What are the key properties of 2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+)?
2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+) has a molecular weight of 2141.44 g/mol, XLogP of 26.73, 23 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+) is sourced from PubChem (CID 157227811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).