2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol

C23H26FN5O — CID 167305253

IUPAC2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol
SMILESC=C(c1cnc(-c2cc(F)c(-n3ccnc3)cc2O)nn1)[C@@H]1CCC[C@](C)(CC)C1
InChIInChI=1S/C23H26FN5O/c1-4-23(3)7-5-6-16(12-23)15(2)19-13-26-22(28-27-19)17-10-18(24)20(11-21(17)30)29-9-8-25-14-29/h8-11,13-14,16,30H,2,4-7,12H2,1,3H3/t16-,23+/m1/s1
InChIKeyLIKHPKFKCXCCSP-MWTRTKDXSA-N
MW407.49 g/mol
LogP5.19
Rot. Bonds5

About 2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol

2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol (PubChem CID 167305253) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol
PubChem CID167305253
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol
SMILESC=C(c1cnc(-c2cc(F)c(-n3ccnc3)cc2O)nn1)[C@@H]1CCC[C@](C)(CC)C1
InChIInChI=1S/C23H26FN5O/c1-4-23(3)7-5-6-16(12-23)15(2)19-13-26-22(28-27-19)17-10-18(24)20(11-21(17)30)29-9-8-25-14-29/h8-11,13-14,16,30H,2,4-7,12H2,1,3H3/t16-,23+/m1/s1
InChIKeyLIKHPKFKCXCCSP-MWTRTKDXSA-N
XLogP5.19
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-imidazol-1-yl-2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethenyl]-1,2,4-triazin-3-yl]phenol
CID 155047259
2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol
CID 175841310
2-[6-[1-[(1R,2R,3S,5R)-2-fluoro-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]ethenyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 167306030
2-[6-[(1S,2R,5S)-5-ethyl-2-fluoro-5-methylcyclohexyl]oxy-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 167305899
2-[6-[1-[(1R,3R,4R,5R)-7,7-difluoro-4-methoxy-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethenyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 172803535
2-[6-[(E)-[(2R,6R)-2-fluoro-6-methyl-6-propylcycloheptylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 167305198
2-[6-[(E)-[(1S,2R)-2-fluoro-1-methyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 166579956
6-[6-[1-[(1R,2S)-4,4-difluoro-2-methoxycyclopentyl]ethenyl]-1,2,4-triazin-3-yl]isoquinolin-7-ol
CID 167305999
2-[6-[(E)-[(2R,3S,5S)-3-ethyl-2,5-difluoro-3-methylcyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 167305369
2-[6-[[(1R,2S,3S,6R)-6-ethyl-2-fluoro-3,6-dimethylcycloheptyl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 174035755
2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 166971761
6-[6-[1-[(1R,2R,3R,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]ethenyl]-1,2,4-triazin-3-yl]isoquinolin-7-ol
CID 166580135

Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol?
The IUPAC name of 2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol (CID 167305253) is 2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol is C=C(c1cnc(-c2cc(F)c(-n3ccnc3)cc2O)nn1)[C@@H]1CCC[C@](C)(CC)C1.
What is the InChIKey of 2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol?
The InChIKey is LIKHPKFKCXCCSP-MWTRTKDXSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-4-23(3)7-5-6-16(12-23)15(2)19-13-26-22(28-27-19)17-10-18(24)20(11-21(17)30)29-9-8-25-14-29/h8-11,13-14,16,30H,2,4-7,12H2,1,3H3/t16-,23+/m1/s1.
What are the key properties of 2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol?
2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol has a molecular weight of 407.49 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-[(1R,3S)-3-ethyl-3-methylcyclohexyl]ethenyl]-1,2,4-triazin-3-yl]-4-fluoro-5-imidazol-1-ylphenol is sourced from PubChem (CID 167305253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).