7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H19F3N4O — CID 42926968

IUPAC7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCN(CC(F)(F)F)CC3)cc(=O)n2c1
InChIInChI=1S/C16H19F3N4O/c1-12-2-3-14-20-13(8-15(24)23(14)9-12)10-21-4-6-22(7-5-21)11-16(17,18)19/h2-3,8-9H,4-7,10-11H2,1H3
InChIKeyLJTRNSCJRFJSQF-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.68
Rot. Bonds3

About 7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42926968) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42926968
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCN(CC(F)(F)F)CC3)cc(=O)n2c1
InChIInChI=1S/C16H19F3N4O/c1-12-2-3-14-20-13(8-15(24)23(14)9-12)10-21-4-6-22(7-5-21)11-16(17,18)19/h2-3,8-9H,4-7,10-11H2,1H3
InChIKeyLJTRNSCJRFJSQF-UHFFFAOYSA-N
XLogP1.68
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 42926968) is 7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCN(CC(F)(F)F)CC3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LJTRNSCJRFJSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-12-2-3-14-20-13(8-15(24)23(14)9-12)10-21-4-6-22(7-5-21)11-16(17,18)19/h2-3,8-9H,4-7,10-11H2,1H3.
What are the key properties of 7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 340.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42926968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).