(2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate

C20H16FN3O4 — CID 42932351

IUPAC(2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)OC(C(N)=O)c2ccccc2)nn1-c1ccccc1F
InChIInChI=1S/C20H16FN3O4/c1-12-11-16(25)17(23-24(12)15-10-6-5-9-14(15)21)20(27)28-18(19(22)26)13-7-3-2-4-8-13/h2-11,18H,1H3,(H2,22,26)
InChIKeyFQFMIPFVBLIOTF-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.06
Rot. Bonds5

About (2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate

(2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate (PubChem CID 42932351) has the molecular formula C20H16FN3O4 and a molecular weight of 381.36 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
PubChem CID42932351
Molecular FormulaC20H16FN3O4
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)OC(C(N)=O)c2ccccc2)nn1-c1ccccc1F
InChIInChI=1S/C20H16FN3O4/c1-12-11-16(25)17(23-24(12)15-10-6-5-9-14(15)21)20(27)28-18(19(22)26)13-7-3-2-4-8-13/h2-11,18H,1H3,(H2,22,26)
InChIKeyFQFMIPFVBLIOTF-UHFFFAOYSA-N
XLogP2.06
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methoxyphenyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 26688241
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide
CID 8529544
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 46636739
1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one
CID 31059497
[2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 55423103
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 100699636
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]pyridazine-3-carboxamide
CID 51924968
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 26687881
(2S)-2-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119360996
2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid
CID 119955090

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate (CID 42932351) is (2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate is Cc1cc(=O)c(C(=O)OC(C(N)=O)c2ccccc2)nn1-c1ccccc1F.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
The InChIKey is FQFMIPFVBLIOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O4/c1-12-11-16(25)17(23-24(12)15-10-6-5-9-14(15)21)20(27)28-18(19(22)26)13-7-3-2-4-8-13/h2-11,18H,1H3,(H2,22,26).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
(2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate has a molecular weight of 381.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 42932351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).