6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine

C32H32F4N6OSi — CID 158688164

IUPAC6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
SMILESC[Si](C)(C)CCOCn1nc(N)c2cc(-c3ccccc3)c(F)c(F)c21.Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12
InChIInChI=1S/C19H23F2N3OSi.C13H9F2N3/c1-26(2,3)10-9-25-12-24-18-15(19(22)23-24)11-14(16(20)17(18)21)13-7-5-4-6-8-13;14-10-8(7-4-2-1-3-5-7)6-9-12(11(10)15)17-18-13(9)16/h4-8,11H,9-10,12H2,1-3H3,(H2,22,23);1-6H,(H3,16,17,18)
InChIKeyIFZRDNORSLNUTJ-UHFFFAOYSA-N
MW620.73 g/mol
LogP7.97
Rot. Bonds7

About 6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine

6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine (PubChem CID 158688164) has the molecular formula C32H32F4N6OSi and a molecular weight of 620.73 g/mol. Its IUPAC name is 6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine.

Molecular Properties

Compound Name6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
PubChem CID158688164
Molecular FormulaC32H32F4N6OSi
Molecular Weight620.73 g/mol
Exact Mass620.23
IUPAC Name6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
SMILESC[Si](C)(C)CCOCn1nc(N)c2cc(-c3ccccc3)c(F)c(F)c21.Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12
InChIInChI=1S/C19H23F2N3OSi.C13H9F2N3/c1-26(2,3)10-9-25-12-24-18-15(19(22)23-24)11-14(16(20)17(18)21)13-7-5-4-6-8-13;14-10-8(7-4-2-1-3-5-7)6-9-12(11(10)15)17-18-13(9)16/h4-8,11H,9-10,12H2,1-3H3,(H2,22,23);1-6H,(H3,16,17,18)
InChIKeyIFZRDNORSLNUTJ-UHFFFAOYSA-N
XLogP7.97
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.73
LogP ≤ 57.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6,7-difluoro-5-phenyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazole-3-amine
CID 9976768
6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine;N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
CID 159008844
(2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 159822888

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine?
The IUPAC name of 6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine (CID 158688164) is 6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine.
What is the SMILES notation for 6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine?
The canonical SMILES for 6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine is C[Si](C)(C)CCOCn1nc(N)c2cc(-c3ccccc3)c(F)c(F)c21.Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12.
What is the InChIKey of 6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine?
The InChIKey is IFZRDNORSLNUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3OSi.C13H9F2N3/c1-26(2,3)10-9-25-12-24-18-15(19(22)23-24)11-14(16(20)17(18)21)13-7-5-4-6-8-13;14-10-8(7-4-2-1-3-5-7)6-9-12(11(10)15)17-18-13(9)16/h4-8,11H,9-10,12H2,1-3H3,(H2,22,23);1-6H,(H3,16,17,18).
What are the key properties of 6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine?
6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine has a molecular weight of 620.73 g/mol, XLogP of 7.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine is sourced from PubChem (CID 158688164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).