5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione

C25H22FN3O4 — CID 58126931

IUPAC5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione
SMILESCn1ccn2c(=O)c(OCc3ccccc3)c(C(=O)CCC(=O)Cc3ccc(F)cc3)nc12
InChIInChI=1S/C25H22FN3O4/c1-28-13-14-29-24(32)23(33-16-18-5-3-2-4-6-18)22(27-25(28)29)21(31)12-11-20(30)15-17-7-9-19(26)10-8-17/h2-10,13-14H,11-12,15-16H2,1H3
InChIKeyOLZSKYPVUGCTKM-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.53
Rot. Bonds9

About 5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione

5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione (PubChem CID 58126931) has the molecular formula C25H22FN3O4 and a molecular weight of 447.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione
PubChem CID58126931
Molecular FormulaC25H22FN3O4
Molecular Weight447.47 g/mol
Exact Mass447.16
IUPAC Name5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione
SMILESCn1ccn2c(=O)c(OCc3ccccc3)c(C(=O)CCC(=O)Cc3ccc(F)cc3)nc12
InChIInChI=1S/C25H22FN3O4/c1-28-13-14-29-24(32)23(33-16-18-5-3-2-4-6-18)22(27-25(28)29)21(31)12-11-20(30)15-17-7-9-19(26)10-8-17/h2-10,13-14H,11-12,15-16H2,1H3
InChIKeyOLZSKYPVUGCTKM-UHFFFAOYSA-N
XLogP3.53
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-Fluorophenyl)-1-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58101117
6-Benzyloxy-5-oxo-1-(2-oxo-2-piperidin-1-yl-ethyl)-1,5-dihydro-imidazo[1,2-a]pyrimidine-7-carboxylic acid [3-(4-fluoro-phenyl)-2-oxo-propyl]-amide
CID 58126888
[1-(4-fluorophenyl)-3-oxopropan-2-yl] 1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate
CID 58127006
5-(4-Fluorophenyl)-1-(7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)pentane-1,4-dione
CID 58148019
1-(9-Bromo-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)-5-(4-fluorophenyl)pentane-1,4-dione
CID 58148044
1-[7-(Dimethylamino)-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-5-(4-fluorophenyl)pentane-1,4-dione
CID 58148077
5-(4-Fluorophenyl)-1-(2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)pentane-1,4-dione
CID 58514440
5-(4-Chloro-3-fluorophenyl)-1-(2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)pentane-1,4-dione
CID 58514456
N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxamide
CID 66922621
7-(dimethylamino)-N-[3-(4-fluorophenyl)-2-oxopropyl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 66953212
1-[3-Amino-1-(4-fluorophenyl)-2,3-dioxopropyl]-1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-1-ium-7-carboxylic acid
CID 87206179
2-[3-(4-Fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 149185136

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione (CID 58126931) is 5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione is Cn1ccn2c(=O)c(OCc3ccccc3)c(C(=O)CCC(=O)Cc3ccc(F)cc3)nc12.
What is the InChIKey of 5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione?
The InChIKey is OLZSKYPVUGCTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O4/c1-28-13-14-29-24(32)23(33-16-18-5-3-2-4-6-18)22(27-25(28)29)21(31)12-11-20(30)15-17-7-9-19(26)10-8-17/h2-10,13-14H,11-12,15-16H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione?
5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione has a molecular weight of 447.47 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione is sourced from PubChem (CID 58126931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).