6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one

C23H19F6N5O — CID 91098812

IUPAC6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one
SMILESO=c1nc(C=Cc2ccccc2N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C23H19F6N5O/c24-22(25,26)16-6-8-20(30-14-16)34-11-9-33(10-12-34)18-4-2-1-3-15(18)5-7-17-13-19(23(27,28)29)32-21(35)31-17/h1-8,13-14H,9-12H2,(H,31,32,35)
InChIKeyVOPGCEQMHOLLFW-UHFFFAOYSA-N
MW495.43 g/mol
LogP4.70
Rot. Bonds4

About 6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one

6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one (PubChem CID 91098812) has the molecular formula C23H19F6N5O and a molecular weight of 495.43 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one
PubChem CID91098812
Molecular FormulaC23H19F6N5O
Molecular Weight495.43 g/mol
Exact Mass495.15
IUPAC Name6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one
SMILESO=c1nc(C=Cc2ccccc2N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C23H19F6N5O/c24-22(25,26)16-6-8-20(30-14-16)34-11-9-33(10-12-34)18-4-2-1-3-15(18)5-7-17-13-19(23(27,28)29)32-21(35)31-17/h1-8,13-14H,9-12H2,(H,31,32,35)
InChIKeyVOPGCEQMHOLLFW-UHFFFAOYSA-N
XLogP4.70
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(E)-2-[2-(4-benzylpiperazin-1-yl)phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 10433366
(E)-2-methyl-3-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]prop-2-enoic acid
CID 170873040
N-benzyl-1-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methanimine oxide
CID 73002357
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
(4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 31203885
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
1-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]indole-2,3-dione
CID 27390427
1-[(E)-3-phenylprop-2-enyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 44768199
2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phthalazin-1-one
CID 17430873
5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 66021883
1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133352551

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one (CID 91098812) is 6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one is O=c1nc(C=Cc2ccccc2N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one?
The InChIKey is VOPGCEQMHOLLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F6N5O/c24-22(25,26)16-6-8-20(30-14-16)34-11-9-33(10-12-34)18-4-2-1-3-15(18)5-7-17-13-19(23(27,28)29)32-21(35)31-17/h1-8,13-14H,9-12H2,(H,31,32,35).
What are the key properties of 6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one?
6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one has a molecular weight of 495.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4-[2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 91098812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).