3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C24H21F3N2O3 — CID 18919206

IUPAC3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)nc2n(c1=O)CCCC2
InChIInChI=1S/C24H21F3N2O3/c1-15-22(28-20-4-2-3-13-29(20)23(15)31)32-14-16-5-7-17(8-6-16)21(30)18-9-11-19(12-10-18)24(25,26)27/h5-12H,2-4,13-14H2,1H3
InChIKeyRLPMNYREPGVSFT-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.72
Rot. Bonds5

About 3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 18919206) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is 3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID18919206
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Name3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)nc2n(c1=O)CCCC2
InChIInChI=1S/C24H21F3N2O3/c1-15-22(28-20-4-2-3-13-29(20)23(15)31)32-14-16-5-7-17(8-6-16)21(30)18-9-11-19(12-10-18)24(25,26)27/h5-12H,2-4,13-14H2,1H3
InChIKeyRLPMNYREPGVSFT-UHFFFAOYSA-N
XLogP4.72
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 18919206) is 3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1c(OCc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)nc2n(c1=O)CCCC2.
What is the InChIKey of 3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RLPMNYREPGVSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3/c1-15-22(28-20-4-2-3-13-29(20)23(15)31)32-14-16-5-7-17(8-6-16)21(30)18-9-11-19(12-10-18)24(25,26)27/h5-12H,2-4,13-14H2,1H3.
What are the key properties of 3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 442.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18919206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).