[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate

C24H23FN4O4 — CID 166384898

IUPAC[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate
SMILESCc1cc(C(=O)COC(=O)c2cnc3c(c2)NC(=O)CN3C)c(C)n1Cc1ccc(F)cc1
InChIInChI=1S/C24H23FN4O4/c1-14-8-19(15(2)29(14)11-16-4-6-18(25)7-5-16)21(30)13-33-24(32)17-9-20-23(26-10-17)28(3)12-22(31)27-20/h4-10H,11-13H2,1-3H3,(H,27,31)
InChIKeyGESVXHZSFHEAIO-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.12
Rot. Bonds6

About [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate

[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate (PubChem CID 166384898) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

Compound Name[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate
PubChem CID166384898
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC Name[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate
SMILESCc1cc(C(=O)COC(=O)c2cnc3c(c2)NC(=O)CN3C)c(C)n1Cc1ccc(F)cc1
InChIInChI=1S/C24H23FN4O4/c1-14-8-19(15(2)29(14)11-16-4-6-18(25)7-5-16)21(30)13-33-24(32)17-9-20-23(26-10-17)28(3)12-22(31)27-20/h4-10H,11-13H2,1-3H3,(H,27,31)
InChIKeyGESVXHZSFHEAIO-UHFFFAOYSA-N
XLogP3.12
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] pyridine-4-carboxylate
CID 7783681
[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676659
[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8785975
[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 22831131
[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767703
[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227656
[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 3293999
[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727386
2-bromo-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 122521315
4-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]benzonitrile
CID 7818560
2-(2,5-dichlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 7185034
[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 7833469

Frequently Asked Questions

What is the IUPAC name of [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate?
The IUPAC name of [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate (CID 166384898) is [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate.
What is the SMILES notation for [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate?
The canonical SMILES for [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate is Cc1cc(C(=O)COC(=O)c2cnc3c(c2)NC(=O)CN3C)c(C)n1Cc1ccc(F)cc1.
What is the InChIKey of [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate?
The InChIKey is GESVXHZSFHEAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4/c1-14-8-19(15(2)29(14)11-16-4-6-18(25)7-5-16)21(30)13-33-24(32)17-9-20-23(26-10-17)28(3)12-22(31)27-20/h4-10H,11-13H2,1-3H3,(H,27,31).
What are the key properties of [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate?
[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate has a molecular weight of 450.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 166384898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).