N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide

C23H20FN5O4 — CID 54680815

IUPACN-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1N1CCC1=O)c1nc2n(c(=O)c1O)CCN2c1ccccc1
InChIInChI=1S/C23H20FN5O4/c24-15-7-6-14(17(12-15)28-9-8-18(28)30)13-25-21(32)19-20(31)22(33)29-11-10-27(23(29)26-19)16-4-2-1-3-5-16/h1-7,12,31H,8-11,13H2,(H,25,32)
InChIKeySINVTLVZRUHILX-UHFFFAOYSA-N
MW449.44 g/mol
LogP1.91
Rot. Bonds5

About N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide

N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide (PubChem CID 54680815) has the molecular formula C23H20FN5O4 and a molecular weight of 449.44 g/mol. Its IUPAC name is N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
PubChem CID54680815
Molecular FormulaC23H20FN5O4
Molecular Weight449.44 g/mol
Exact Mass449.15
IUPAC NameN-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1N1CCC1=O)c1nc2n(c(=O)c1O)CCN2c1ccccc1
InChIInChI=1S/C23H20FN5O4/c24-15-7-6-14(17(12-15)28-9-8-18(28)30)13-25-21(32)19-20(31)22(33)29-11-10-27(23(29)26-19)16-4-2-1-3-5-16/h1-7,12,31H,8-11,13H2,(H,25,32)
InChIKeySINVTLVZRUHILX-UHFFFAOYSA-N
XLogP1.91
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680796
N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 89390814
N-[[4-fluoro-2-(2-oxoazepan-1-yl)phenyl]methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 143149746
N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 89390838
N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680789
N-[[2-[(2S)-2-ethyl-2-methyl-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 163673842
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-9-methyl-4,8-dioxo-6,7-dihydropyrimido[1,2-a]pyrimidine-2-carboxamide
CID 54677938
8-benzyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepine-2-carboxamide
CID 54698312
N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-3-hydroxy-8-methyl-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclohexane]-2-carboxamide
CID 58641483
N-[[2-[(2R)-2-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 143149763
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-6-hydroxy-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680810
1-butyl-N-[(4-fluorophenyl)methyl]-6-hydroxy-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680806

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide (CID 54680815) is N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide is O=C(NCc1ccc(F)cc1N1CCC1=O)c1nc2n(c(=O)c1O)CCN2c1ccccc1.
What is the InChIKey of N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is SINVTLVZRUHILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O4/c24-15-7-6-14(17(12-15)28-9-8-18(28)30)13-25-21(32)19-20(31)22(33)29-11-10-27(23(29)26-19)16-4-2-1-3-5-16/h1-7,12,31H,8-11,13H2,(H,25,32).
What are the key properties of N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide?
N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 449.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 54680815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).