[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane

C30H32Br2N8O2Si — CID 159097080

IUPAC[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(-n2ncc3ccc(Br)cc32)n1.OCc1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C18H23BrN4OSi.C12H9BrN4O/c1-18(2,3)25(4,5)24-12-15-8-9-20-17(22-15)23-16-10-14(19)7-6-13(16)11-21-23;13-9-2-1-8-6-15-17(11(8)5-9)12-14-4-3-10(7-18)16-12/h6-11H,12H2,1-5H3;1-6,18H,7H2
InChIKeyKCUODIBNBHGDRM-UHFFFAOYSA-N
MW724.53 g/mol
LogP7.17
Rot. Bonds6

About [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane

[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 159097080) has the molecular formula C30H32Br2N8O2Si and a molecular weight of 724.53 g/mol. Its IUPAC name is [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID159097080
Molecular FormulaC30H32Br2N8O2Si
Molecular Weight724.53 g/mol
Exact Mass722.08
IUPAC Name[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(-n2ncc3ccc(Br)cc32)n1.OCc1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C18H23BrN4OSi.C12H9BrN4O/c1-18(2,3)25(4,5)24-12-15-8-9-20-17(22-15)23-16-10-14(19)7-6-13(16)11-21-23;13-9-2-1-8-6-15-17(11(8)5-9)12-14-4-3-10(7-18)16-12/h6-11H,12H2,1-5H3;1-6,18H,7H2
InChIKeyKCUODIBNBHGDRM-UHFFFAOYSA-N
XLogP7.17
TPSA116.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.53
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(6-Bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol
CID 118663626
[6-Bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-fluoroindazol-3-yl]-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol
CID 173699700
2-(6-Bromo-1h-indazol-1-yl)-4-pyrimidinemethanol
CID 118664624
1-[2-(6-Bromoindazol-1-yl)pyrimidin-4-yl]ethanol
CID 130248816
6-Bromo-1-(6-(((tert-butyldimethylsilyl)oxy)methyl)pyridin-2-yl)-1H-indazole
CID 140798369
6-Bromo-1-[4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2-pyrimidinyl]-1h-indazole
CID 140798458
6-Bromo-2-(6-(((tert-butyldimethylsilyl)oxy)methyl)pyridin-2-yl)-2H-indazole
CID 140798469
[2-(6-Bromoindazol-1-yl)pyrimidin-4-yl]methanol;ethane
CID 145002427
1-[2-(6-Bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane
CID 153693166
[6-(4-Bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
CID 157150775
[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol
CID 157302656
N-(5-bromo-2-methanimidoylphenyl)-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]pyridin-2-amine;tert-butyl-dimethyl-[1-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyrimidin-4-yl]ethoxy]silane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157850991

Frequently Asked Questions

What is the IUPAC name of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane (CID 159097080) is [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccnc(-n2ncc3ccc(Br)cc32)n1.OCc1ccnc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is KCUODIBNBHGDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4OSi.C12H9BrN4O/c1-18(2,3)25(4,5)24-12-15-8-9-20-17(22-15)23-16-10-14(19)7-6-13(16)11-21-23;13-9-2-1-8-6-15-17(11(8)5-9)12-14-4-3-10(7-18)16-12/h6-11H,12H2,1-5H3;1-6,18H,7H2.
What are the key properties of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane?
[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 724.53 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 159097080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).