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

C26H23F5N6 — CID 89442595

IUPAC5-(3-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2cccc(F)c2)CC1
InChIInChI=1S/C26H23F5N6/c1-36-13-21(16-5-6-20(28)19(12-16)26(29,30)31)35-24(36)15-7-9-37(10-8-15)25-22(23(32)33-14-34-25)17-3-2-4-18(27)11-17/h2-6,11-15H,7-10H2,1H3,(H2,32,33,34)
InChIKeyDBMSGLAFQXFTRY-UHFFFAOYSA-N
MW514.50 g/mol
LogP5.81
Rot. Bonds4

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

5-(3-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 89442595) has the molecular formula C26H23F5N6 and a molecular weight of 514.50 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID89442595
Molecular FormulaC26H23F5N6
Molecular Weight514.50 g/mol
Exact Mass514.19
IUPAC Name5-(3-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2cccc(F)c2)CC1
InChIInChI=1S/C26H23F5N6/c1-36-13-21(16-5-6-20(28)19(12-16)26(29,30)31)35-24(36)15-7-9-37(10-8-15)25-22(23(32)33-14-34-25)17-3-2-4-18(27)11-17/h2-6,11-15H,7-10H2,1H3,(H2,32,33,34)
InChIKeyDBMSGLAFQXFTRY-UHFFFAOYSA-N
XLogP5.81
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.50
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-(3-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 89442595) is 5-(3-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-(3-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2cccc(F)c2)CC1.
What is the InChIKey of 5-(3-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is DBMSGLAFQXFTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F5N6/c1-36-13-21(16-5-6-20(28)19(12-16)26(29,30)31)35-24(36)15-7-9-37(10-8-15)25-22(23(32)33-14-34-25)17-3-2-4-18(27)11-17/h2-6,11-15H,7-10H2,1H3,(H2,32,33,34).
What are the key properties of 5-(3-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
5-(3-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 514.50 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 89442595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).