benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate

C25H19FN4O5 — CID 44783180

IUPACbenzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate
SMILESO=C(Nc1cnc2c(C(=O)NCC(=O)c3ccc(F)cc3)cccn2c1=O)OCc1ccccc1
InChIInChI=1S/C25H19FN4O5/c26-18-10-8-17(9-11-18)21(31)14-28-23(32)19-7-4-12-30-22(19)27-13-20(24(30)33)29-25(34)35-15-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,28,32)(H,29,34)
InChIKeyWQRJGXJHUFCXHN-UHFFFAOYSA-N
MW474.45 g/mol
LogP3.19
Rot. Bonds7

About benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate

benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate (PubChem CID 44783180) has the molecular formula C25H19FN4O5 and a molecular weight of 474.45 g/mol. Its IUPAC name is benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate
PubChem CID44783180
Molecular FormulaC25H19FN4O5
Molecular Weight474.45 g/mol
Exact Mass474.13
IUPAC Namebenzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate
SMILESO=C(Nc1cnc2c(C(=O)NCC(=O)c3ccc(F)cc3)cccn2c1=O)OCc1ccccc1
InChIInChI=1S/C25H19FN4O5/c26-18-10-8-17(9-11-18)21(31)14-28-23(32)19-7-4-12-30-22(19)27-13-20(24(30)33)29-25(34)35-15-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,28,32)(H,29,34)
InChIKeyWQRJGXJHUFCXHN-UHFFFAOYSA-N
XLogP3.19
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate with MolForge

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Related Compounds

3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783045
2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid
CID 44783182
N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783049
3-[(2-cyanophenyl)methylamino]-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783152
N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783213
4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide
CID 44782939
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate
CID 118155175
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
CID 94280945
benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate
CID 172557349
3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783219

Frequently Asked Questions

What is the IUPAC name of benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate?
The IUPAC name of benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate (CID 44783180) is benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate is O=C(Nc1cnc2c(C(=O)NCC(=O)c3ccc(F)cc3)cccn2c1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate?
The InChIKey is WQRJGXJHUFCXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O5/c26-18-10-8-17(9-11-18)21(31)14-28-23(32)19-7-4-12-30-22(19)27-13-20(24(30)33)29-25(34)35-15-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,28,32)(H,29,34).
What are the key properties of benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate?
benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate has a molecular weight of 474.45 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate is sourced from PubChem (CID 44783180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).