2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

C24H21F2N5O3 — CID 50838370

IUPAC2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
SMILESCc1c(C(=O)NCc2ccc(F)cc2)c(C)n2cnn(CC(=O)Nc3cccc(F)c3)c(=O)c12
InChIInChI=1S/C24H21F2N5O3/c1-14-21(23(33)27-11-16-6-8-17(25)9-7-16)15(2)30-13-28-31(24(34)22(14)30)12-20(32)29-19-5-3-4-18(26)10-19/h3-10,13H,11-12H2,1-2H3,(H,27,33)(H,29,32)
InChIKeyRWLZHSCCYDXKLZ-UHFFFAOYSA-N
MW465.46 g/mol
LogP2.96
Rot. Bonds6

About 2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide (PubChem CID 50838370) has the molecular formula C24H21F2N5O3 and a molecular weight of 465.46 g/mol. Its IUPAC name is 2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide.

Molecular Properties

Compound Name2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
PubChem CID50838370
Molecular FormulaC24H21F2N5O3
Molecular Weight465.46 g/mol
Exact Mass465.16
IUPAC Name2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
SMILESCc1c(C(=O)NCc2ccc(F)cc2)c(C)n2cnn(CC(=O)Nc3cccc(F)c3)c(=O)c12
InChIInChI=1S/C24H21F2N5O3/c1-14-21(23(33)27-11-16-6-8-17(25)9-7-16)15(2)30-13-28-31(24(34)22(14)30)12-20(32)29-19-5-3-4-18(26)10-19/h3-10,13H,11-12H2,1-2H3,(H,27,33)(H,29,32)
InChIKeyRWLZHSCCYDXKLZ-UHFFFAOYSA-N
XLogP2.96
TPSA97.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide with MolForge

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Related Compounds

2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
CID 50838432
2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
CID 46393698
N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774438
6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
CID 53367423
6-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097871
2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 115616714
2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 20884947
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
4-(acetamidomethyl)-N-(3-fluorophenyl)benzamide
CID 18194975
2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]-N-(3-fluorophenyl)acetamide
CID 16847293
1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide
CID 53040197
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide?
The IUPAC name of 2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide (CID 50838370) is 2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide.
What is the SMILES notation for 2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide?
The canonical SMILES for 2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide is Cc1c(C(=O)NCc2ccc(F)cc2)c(C)n2cnn(CC(=O)Nc3cccc(F)c3)c(=O)c12.
What is the InChIKey of 2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide?
The InChIKey is RWLZHSCCYDXKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3/c1-14-21(23(33)27-11-16-6-8-17(25)9-7-16)15(2)30-13-28-31(24(34)22(14)30)12-20(32)29-19-5-3-4-18(26)10-19/h3-10,13H,11-12H2,1-2H3,(H,27,33)(H,29,32).
What are the key properties of 2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide?
2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide is sourced from PubChem (CID 50838370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).