2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone

C28H25F4N5O2 — CID 176967219

IUPAC2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone
SMILESCn1cc(C2(O)CCN(C(=O)Cc3ccc(-c4ccc(F)cc4)nc3)CC2)nc1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C28H25F4N5O2/c1-36-17-24(35-26(36)23-9-5-20(16-34-23)28(30,31)32)27(39)10-12-37(13-11-27)25(38)14-18-2-8-22(33-15-18)19-3-6-21(29)7-4-19/h2-9,15-17,39H,10-14H2,1H3
InChIKeyQURVQYCBXNPDAE-UHFFFAOYSA-N
MW539.53 g/mol
LogP4.75
Rot. Bonds5

About 2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone

2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone (PubChem CID 176967219) has the molecular formula C28H25F4N5O2 and a molecular weight of 539.53 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone
PubChem CID176967219
Molecular FormulaC28H25F4N5O2
Molecular Weight539.53 g/mol
Exact Mass539.19
IUPAC Name2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone
SMILESCn1cc(C2(O)CCN(C(=O)Cc3ccc(-c4ccc(F)cc4)nc3)CC2)nc1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C28H25F4N5O2/c1-36-17-24(35-26(36)23-9-5-20(16-34-23)28(30,31)32)27(39)10-12-37(13-11-27)25(38)14-18-2-8-22(33-15-18)19-3-6-21(29)7-4-19/h2-9,15-17,39H,10-14H2,1H3
InChIKeyQURVQYCBXNPDAE-UHFFFAOYSA-N
XLogP4.75
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-hydroxy-4,4,4-trifluoro-3-phenylbutan-1-one
CID 10789529
N-(2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 23120580
2-fluoro-N-[3-(1-hydroxy-1-methylethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide
CID 122604111
2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122609179
2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-(2-methylphenyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122609181
2-fluoro-N-[7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122609196
2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-c]pyrimidin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122609290
US10800784, Example 67
CID 147044677
US10800784, Example 54
CID 147069653
US10800784, Example 58
CID 147205052
US10800784, Example 96
CID 147298399
US10800784, Example 68
CID 147389997

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone (CID 176967219) is 2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone is Cn1cc(C2(O)CCN(C(=O)Cc3ccc(-c4ccc(F)cc4)nc3)CC2)nc1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone?
The InChIKey is QURVQYCBXNPDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F4N5O2/c1-36-17-24(35-26(36)23-9-5-20(16-34-23)28(30,31)32)27(39)10-12-37(13-11-27)25(38)14-18-2-8-22(33-15-18)19-3-6-21(29)7-4-19/h2-9,15-17,39H,10-14H2,1H3.
What are the key properties of 2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone?
2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone has a molecular weight of 539.53 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)-3-pyridinyl]-1-[4-hydroxy-4-[1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 176967219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).