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

C25H23F4N7 — CID 89445387

IUPAC6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine
SMILESCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccncc2)CC1
InChIInChI=1S/C25H23F4N7/c1-35-13-20(17-2-3-19(26)18(12-17)25(27,28)29)34-23(35)16-6-10-36(11-7-16)24-21(22(30)32-14-33-24)15-4-8-31-9-5-15/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3,(H2,30,32,33)
InChIKeyOSJZAAQNTQOLFR-UHFFFAOYSA-N
MW497.50 g/mol
LogP5.06
Rot. Bonds4

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

6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine (PubChem CID 89445387) has the molecular formula C25H23F4N7 and a molecular weight of 497.50 g/mol. Its IUPAC name is 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine
PubChem CID89445387
Molecular FormulaC25H23F4N7
Molecular Weight497.50 g/mol
Exact Mass497.20
IUPAC Name6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine
SMILESCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccncc2)CC1
InChIInChI=1S/C25H23F4N7/c1-35-13-20(17-2-3-19(26)18(12-17)25(27,28)29)34-23(35)16-6-10-36(11-7-16)24-21(22(30)32-14-33-24)15-4-8-31-9-5-15/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3,(H2,30,32,33)
InChIKeyOSJZAAQNTQOLFR-UHFFFAOYSA-N
XLogP5.06
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine (CID 89445387) is 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine is Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccncc2)CC1.
What is the InChIKey of 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is OSJZAAQNTQOLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N7/c1-35-13-20(17-2-3-19(26)18(12-17)25(27,28)29)34-23(35)16-6-10-36(11-7-16)24-21(22(30)32-14-33-24)15-4-8-31-9-5-15/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3,(H2,30,32,33).
What are the key properties of 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine?
6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 497.50 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 89445387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).