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

C32H32FN5O5 — CID 58148077

IUPAC1-[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
SMILESCN1CCN(c2cc(N(C)C)cn3c(=O)c(OCc4ccccc4)c(C(=O)CCC(=O)Cc4ccc(F)cc4)nc23)C1=O
InChIInChI=1S/C32H32FN5O5/c1-35(2)24-18-26(37-16-15-36(3)32(37)42)30-34-28(27(40)14-13-25(39)17-21-9-11-23(33)12-10-21)29(31(41)38(30)19-24)43-20-22-7-5-4-6-8-22/h4-12,18-19H,13-17,20H2,1-3H3
InChIKeyWKQCCMLQAOSVCR-UHFFFAOYSA-N
MW585.64 g/mol
LogP4.13
Rot. Bonds11

About 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

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 (PubChem CID 58148077) has the molecular formula C32H32FN5O5 and a molecular weight of 585.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID58148077
Molecular FormulaC32H32FN5O5
Molecular Weight585.64 g/mol
Exact Mass585.24
IUPAC Name1-[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
SMILESCN1CCN(c2cc(N(C)C)cn3c(=O)c(OCc4ccccc4)c(C(=O)CCC(=O)Cc4ccc(F)cc4)nc23)C1=O
InChIInChI=1S/C32H32FN5O5/c1-35(2)24-18-26(37-16-15-36(3)32(37)42)30-34-28(27(40)14-13-25(39)17-21-9-11-23(33)12-10-21)29(31(41)38(30)19-24)43-20-22-7-5-4-6-8-22/h4-12,18-19H,13-17,20H2,1-3H3
InChIKeyWKQCCMLQAOSVCR-UHFFFAOYSA-N
XLogP4.13
TPSA104.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.64
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

7-Bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58100968
2-[3-(4-Fluorophenyl)propanoyl]-7-iodo-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58101031
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
5-(4-Fluorophenyl)-1-(1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl)pentane-1,4-dione
CID 58126931
[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-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
N-[2-[5-(4-fluorophenyl)-4-oxopentanoyl]-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-9-yl]-N-methylmethanesulfonamide
CID 58147990
2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58148000
5-(3-Chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58148004
5-(4-Fluorophenyl)-1-(7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)pentane-1,4-dione
CID 58148019

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCN(c2cc(N(C)C)cn3c(=O)c(OCc4ccccc4)c(C(=O)CCC(=O)Cc4ccc(F)cc4)nc23)C1=O.
What is the InChIKey of 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?
The InChIKey is WKQCCMLQAOSVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN5O5/c1-35(2)24-18-26(37-16-15-36(3)32(37)42)30-34-28(27(40)14-13-25(39)17-21-9-11-23(33)12-10-21)29(31(41)38(30)19-24)43-20-22-7-5-4-6-8-22/h4-12,18-19H,13-17,20H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 585.64 g/mol, XLogP of 4.13, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58148077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).