6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C22H23F3N4O — CID 8720923

IUPAC6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc(=O)n12
InChIInChI=1S/C22H23F3N4O/c1-16-4-2-7-20-26-19(13-21(30)29(16)20)15-28-10-8-27(9-11-28)14-17-5-3-6-18(12-17)22(23,24)25/h2-7,12-13H,8-11,14-15H2,1H3
InChIKeyIZCSBORQSBMRTA-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.34
Rot. Bonds4

About 6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 8720923) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is 6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID8720923
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc(=O)n12
InChIInChI=1S/C22H23F3N4O/c1-16-4-2-7-20-26-19(13-21(30)29(16)20)15-28-10-8-27(9-11-28)14-17-5-3-6-18(12-17)22(23,24)25/h2-7,12-13H,8-11,14-15H2,1H3
InChIKeyIZCSBORQSBMRTA-UHFFFAOYSA-N
XLogP3.34
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9259386
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18199925
1-[(4-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 22195771
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 3325305
6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 126817460
[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752538
2-methyl-7-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 55768326
N-[(2R)-3-methyl-1-oxo-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butan-2-yl]acetamide
CID 9021256
2,2,2-trifluoro-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 19329601
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 8720923) is 6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc(=O)n12.
What is the InChIKey of 6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IZCSBORQSBMRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c1-16-4-2-7-20-26-19(13-21(30)29(16)20)15-28-10-8-27(9-11-28)14-17-5-3-6-18(12-17)22(23,24)25/h2-7,12-13H,8-11,14-15H2,1H3.
What are the key properties of 6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 416.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8720923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).