3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine

C25H29FN4OSi — CID 90391052

IUPAC3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
SMILESCc1cccc(Nc2ccc3c(c2)c(-c2ccnc(F)c2)nn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C25H29FN4OSi/c1-18-6-5-7-20(14-18)28-21-8-9-23-22(16-21)25(19-10-11-27-24(26)15-19)29-30(23)17-31-12-13-32(2,3)4/h5-11,14-16,28H,12-13,17H2,1-4H3
InChIKeyYSVHTNLRVQHHDZ-UHFFFAOYSA-N
MW448.62 g/mol
LogP6.60
Rot. Bonds8

About 3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine

3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine (PubChem CID 90391052) has the molecular formula C25H29FN4OSi and a molecular weight of 448.62 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
PubChem CID90391052
Molecular FormulaC25H29FN4OSi
Molecular Weight448.62 g/mol
Exact Mass448.21
IUPAC Name3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
SMILESCc1cccc(Nc2ccc3c(c2)c(-c2ccnc(F)c2)nn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C25H29FN4OSi/c1-18-6-5-7-20(14-18)28-21-8-9-23-22(16-21)25(19-10-11-27-24(26)15-19)29-30(23)17-31-12-13-32(2,3)4/h5-11,14-16,28H,12-13,17H2,1-4H3
InChIKeyYSVHTNLRVQHHDZ-UHFFFAOYSA-N
XLogP6.60
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.62
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylethanamine;2-[[5-ethoxy-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-(2-methoxyethyl)pyridin-2-amine;2-methoxyethanamine
CID 158334364
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
CID 22352427
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171839827
ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate
CID 90400955
4-cyano-N-[3-(3-nitrophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]benzamide
CID 170562660
2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 171933248
5-bromo-N-[5-(2-fluoro-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine
CID 166071440
3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 159426350
5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
CID 58540680
2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 168727886
tert-butyl N-[2-[[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]-methylamino]ethyl]carbamate
CID 144697790

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine (CID 90391052) is 3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine is Cc1cccc(Nc2ccc3c(c2)c(-c2ccnc(F)c2)nn3COCC[Si](C)(C)C)c1.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
The InChIKey is YSVHTNLRVQHHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4OSi/c1-18-6-5-7-20(14-18)28-21-8-9-23-22(16-21)25(19-10-11-27-24(26)15-19)29-30(23)17-31-12-13-32(2,3)4/h5-11,14-16,28H,12-13,17H2,1-4H3.
What are the key properties of 3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine has a molecular weight of 448.62 g/mol, XLogP of 6.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine is sourced from PubChem (CID 90391052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).