7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

C24H18BrFN2O3 — CID 58100968

IUPAC7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESO=C(CCc1ccc(F)cc1)c1nc2ccc(Br)cn2c(=O)c1OCc1ccccc1
InChIInChI=1S/C24H18BrFN2O3/c25-18-9-13-21-27-22(20(29)12-8-16-6-10-19(26)11-7-16)23(24(30)28(21)14-18)31-15-17-4-2-1-3-5-17/h1-7,9-11,13-14H,8,12,15H2
InChIKeyHCJRLWPXBAPVSA-UHFFFAOYSA-N
MW481.32 g/mol
LogP4.99
Rot. Bonds7

About 7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 58100968) has the molecular formula C24H18BrFN2O3 and a molecular weight of 481.32 g/mol. Its IUPAC name is 7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID58100968
Molecular FormulaC24H18BrFN2O3
Molecular Weight481.32 g/mol
Exact Mass480.05
IUPAC Name7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESO=C(CCc1ccc(F)cc1)c1nc2ccc(Br)cn2c(=O)c1OCc1ccccc1
InChIInChI=1S/C24H18BrFN2O3/c25-18-9-13-21-27-22(20(29)12-8-16-6-10-19(26)11-7-16)23(24(30)28(21)14-18)31-15-17-4-2-1-3-5-17/h1-7,9-11,13-14H,8,12,15H2
InChIKeyHCJRLWPXBAPVSA-UHFFFAOYSA-N
XLogP4.99
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.32
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Phenyl-9-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 134140913
7-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58100959
2-(4-fluorophenyl)-N-[2-(7-methyl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)-2-oxoethyl]acetamide
CID 58101011
2-[3-(4-Fluorophenyl)propanoyl]-7-iodo-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58101031
[(Z)-[amino-(7-methyl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)methylidene]amino] 2-(4-fluorophenyl)acetate
CID 58101097
5-(4-Fluorophenyl)-1-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58101117
5-(4-Fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58147974
5-(4-Fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58147979
2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58147980
2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide
CID 58147996
5-(4-Fluorophenyl)-1-(7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)pentane-1,4-dione
CID 58148019
9-bromo-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58148034

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (CID 58100968) is 7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is O=C(CCc1ccc(F)cc1)c1nc2ccc(Br)cn2c(=O)c1OCc1ccccc1.
What is the InChIKey of 7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HCJRLWPXBAPVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrFN2O3/c25-18-9-13-21-27-22(20(29)12-8-16-6-10-19(26)11-7-16)23(24(30)28(21)14-18)31-15-17-4-2-1-3-5-17/h1-7,9-11,13-14H,8,12,15H2.
What are the key properties of 7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 481.32 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58100968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).