6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine

C19H26ClFN6OSi — CID 167528995

IUPAC6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine
SMILESCc1cnn(C)c1-c1cc(Cl)nc(Nc2ccnn2COCC[Si](C)(C)C)c1F
InChIInChI=1S/C19H26ClFN6OSi/c1-13-11-23-26(2)18(13)14-10-15(20)24-19(17(14)21)25-16-6-7-22-27(16)12-28-8-9-29(3,4)5/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,25)
InChIKeyYPSRDDDWDZRELY-UHFFFAOYSA-N
MW437.00 g/mol
LogP4.84
Rot. Bonds8

About 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine

6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine (PubChem CID 167528995) has the molecular formula C19H26ClFN6OSi and a molecular weight of 437.00 g/mol. Its IUPAC name is 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine
PubChem CID167528995
Molecular FormulaC19H26ClFN6OSi
Molecular Weight437.00 g/mol
Exact Mass436.16
IUPAC Name6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine
SMILESCc1cnn(C)c1-c1cc(Cl)nc(Nc2ccnn2COCC[Si](C)(C)C)c1F
InChIInChI=1S/C19H26ClFN6OSi/c1-13-11-23-26(2)18(13)14-10-15(20)24-19(17(14)21)25-16-6-7-22-27(16)12-28-8-9-29(3,4)5/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,25)
InChIKeyYPSRDDDWDZRELY-UHFFFAOYSA-N
XLogP4.84
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.00
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-chloro-N-(4-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)phenyl)-4-(1-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 54584564
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine
CID 134440159
5-[(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
CID 71110740
(S)-6-Chloro-N-[1-(4-fluorophenyl)ethyl]-4-(1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazol-4-yl)pyridine-2-amine
CID 86659386
4-[3-(2-chlorophenyl)-4-(1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazol-2-yl)-1H-pyrazol-1-yl]-2-fluoro-5-methylpyridine
CID 86688652
6-chloro-N-[1-(4-fluorophenyl)ethyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridin-2-amine
CID 87234941
N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethyl-5-(4-fluorophenyl)pyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 142754170
N-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine
CID 146288700
2-[[3-(3-Chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150246526
N-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine
CID 160866514
N-(2,6-dichloro-4-fluorophenyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine
CID 160866515
1-[2-chloro-5-[1-[4-(1,1-difluoroethyl)-1,3-dimethylpyrazol-5-yl]pyrazol-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 163578621

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine (CID 167528995) is 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine is Cc1cnn(C)c1-c1cc(Cl)nc(Nc2ccnn2COCC[Si](C)(C)C)c1F.
What is the InChIKey of 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine?
The InChIKey is YPSRDDDWDZRELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN6OSi/c1-13-11-23-26(2)18(13)14-10-15(20)24-19(17(14)21)25-16-6-7-22-27(16)12-28-8-9-29(3,4)5/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,25).
What are the key properties of 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine?
6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine has a molecular weight of 437.00 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-3-fluoro-N-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 167528995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).