1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one

C45H60Br2N6O6Si2 — CID 159928020

IUPAC1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one
SMILESCC(=O)COc1cc(Br)cc2c1cnn2-c1cccc(CO[Si](C)(C)C(C)(C)C)n1.CC(C)(O)COc1cc(Br)cc2c1cnn2-c1cccc(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C23H32BrN3O3Si.C22H28BrN3O3Si/c1-22(2,3)31(6,7)30-14-17-9-8-10-21(26-17)27-19-11-16(24)12-20(18(19)13-25-27)29-15-23(4,5)28;1-15(27)13-28-20-11-16(23)10-19-18(20)12-24-26(19)21-9-7-8-17(25-21)14-29-30(5,6)22(2,3)4/h8-13,28H,14-15H2,1-7H3;7-12H,13-14H2,1-6H3
InChIKeyNZGRHQVHFIGSMH-UHFFFAOYSA-N
MW996.99 g/mol
LogP11.53
Rot. Bonds14

About 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one

1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one (PubChem CID 159928020) has the molecular formula C45H60Br2N6O6Si2 and a molecular weight of 996.99 g/mol. Its IUPAC name is 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one.

Molecular Properties

Compound Name1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one
PubChem CID159928020
Molecular FormulaC45H60Br2N6O6Si2
Molecular Weight996.99 g/mol
Exact Mass994.25
IUPAC Name1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one
SMILESCC(=O)COc1cc(Br)cc2c1cnn2-c1cccc(CO[Si](C)(C)C(C)(C)C)n1.CC(C)(O)COc1cc(Br)cc2c1cnn2-c1cccc(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C23H32BrN3O3Si.C22H28BrN3O3Si/c1-22(2,3)31(6,7)30-14-17-9-8-10-21(26-17)27-19-11-16(24)12-20(18(19)13-25-27)29-15-23(4,5)28;1-15(27)13-28-20-11-16(23)10-19-18(20)12-24-26(19)21-9-7-8-17(25-21)14-29-30(5,6)22(2,3)4/h8-13,28H,14-15H2,1-7H3;7-12H,13-14H2,1-6H3
InChIKeyNZGRHQVHFIGSMH-UHFFFAOYSA-N
XLogP11.53
TPSA135.64 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500996.99
LogP ≤ 511.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one?
The IUPAC name of 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one (CID 159928020) is 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one.
What is the SMILES notation for 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one?
The canonical SMILES for 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one is CC(=O)COc1cc(Br)cc2c1cnn2-c1cccc(CO[Si](C)(C)C(C)(C)C)n1.CC(C)(O)COc1cc(Br)cc2c1cnn2-c1cccc(CO[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one?
The InChIKey is NZGRHQVHFIGSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32BrN3O3Si.C22H28BrN3O3Si/c1-22(2,3)31(6,7)30-14-17-9-8-10-21(26-17)27-19-11-16(24)12-20(18(19)13-25-27)29-15-23(4,5)28;1-15(27)13-28-20-11-16(23)10-19-18(20)12-24-26(19)21-9-7-8-17(25-21)14-29-30(5,6)22(2,3)4/h8-13,28H,14-15H2,1-7H3;7-12H,13-14H2,1-6H3.
What are the key properties of 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one?
1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one has a molecular weight of 996.99 g/mol, XLogP of 11.53, 14 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one is sourced from PubChem (CID 159928020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).