[4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol

C27H26F4N6O — CID 89450263

IUPAC[4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol
SMILESCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(CO)cc2)CC1
InChIInChI=1S/C27H26F4N6O/c1-36-13-22(19-6-7-21(28)20(12-19)27(29,30)31)35-25(36)18-8-10-37(11-9-18)26-23(24(32)33-15-34-26)17-4-2-16(14-38)3-5-17/h2-7,12-13,15,18,38H,8-11,14H2,1H3,(H2,32,33,34)
InChIKeyRUZSLLVTXSZYLX-UHFFFAOYSA-N
MW526.54 g/mol
LogP5.16
Rot. Bonds5

About [4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol

[4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol (PubChem CID 89450263) has the molecular formula C27H26F4N6O and a molecular weight of 526.54 g/mol. Its IUPAC name is [4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol
PubChem CID89450263
Molecular FormulaC27H26F4N6O
Molecular Weight526.54 g/mol
Exact Mass526.21
IUPAC Name[4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol
SMILESCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(CO)cc2)CC1
InChIInChI=1S/C27H26F4N6O/c1-36-13-22(19-6-7-21(28)20(12-19)27(29,30)31)35-25(36)18-8-10-37(11-9-18)26-23(24(32)33-15-34-26)17-4-2-16(14-38)3-5-17/h2-7,12-13,15,18,38H,8-11,14H2,1H3,(H2,32,33,34)
InChIKeyRUZSLLVTXSZYLX-UHFFFAOYSA-N
XLogP5.16
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.54
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3-Methyl-5-{[4-(2-phenyl-1h-imidazol-1-yl)pyrimidin-2-yl]amino}phenyl)methanol
CID 5329428
3-[8-Amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44468332
1-[2-(4-fluorophenyl)-3-(2-phenylmethoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 44419899
(3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-7-yl)methanol
CID 44410563
1-[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol
CID 44539387
6-(4-(1-(2-(Dimethylamino)ethyl)-4-(4-fluoro-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)piperidin-1-yl)-5-ethylpyrimidin-4-amine
CID 89442465
5-(4-Fluoro-phenyl)-6-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-4-ylamine
CID 89442482
6-(4-(1-(2-(dimethylamino)ethyl)-4-(4-fluoro-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)piperidin-1-yl)-5-(4-fluorophenyl)pyrimidin-4-amine
CID 89442484
5-(3-Fluoro-phenyl)-6-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-4-ylamine
CID 89442595
6-{4-[1-(2-Dimethylamino-ethyl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-piperidin-1-yl}-5-vinyl-pyrimidin-4-ylamine
CID 89442640
6-{4-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-5-pyridin-4-yl-pyrimidin-4-ylamine
CID 89445387
5-(2-Fluorophenyl)-6-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-4-ylamine
CID 89445406

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol?
The IUPAC name of [4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol (CID 89450263) is [4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol.
What is the SMILES notation for [4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol?
The canonical SMILES for [4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol is Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(CO)cc2)CC1.
What is the InChIKey of [4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol?
The InChIKey is RUZSLLVTXSZYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F4N6O/c1-36-13-22(19-6-7-21(28)20(12-19)27(29,30)31)35-25(36)18-8-10-37(11-9-18)26-23(24(32)33-15-34-26)17-4-2-16(14-38)3-5-17/h2-7,12-13,15,18,38H,8-11,14H2,1H3,(H2,32,33,34).
What are the key properties of [4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol?
[4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol has a molecular weight of 526.54 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanol is sourced from PubChem (CID 89450263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).