methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate

C18H14FN3O4S — CID 24509329

IUPACmethyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)s1
InChIInChI=1S/C18H14FN3O4S/c1-10-9-13(23)16(21-22(10)12-6-4-3-5-11(12)19)17(24)20-15-8-7-14(27-15)18(25)26-2/h3-9H,1-2H3,(H,20,24)
InChIKeyMPELEYGWJKQBAM-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.78
Rot. Bonds4

About methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate

methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 24509329) has the molecular formula C18H14FN3O4S and a molecular weight of 387.39 g/mol. Its IUPAC name is methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate
PubChem CID24509329
Molecular FormulaC18H14FN3O4S
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC Namemethyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)s1
InChIInChI=1S/C18H14FN3O4S/c1-10-9-13(23)16(21-22(10)12-6-4-3-5-11(12)19)17(24)20-15-8-7-14(27-15)18(25)26-2/h3-9H,1-2H3,(H,20,24)
InChIKeyMPELEYGWJKQBAM-UHFFFAOYSA-N
XLogP2.78
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate (CID 24509329) is methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)s1.
What is the InChIKey of methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is MPELEYGWJKQBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4S/c1-10-9-13(23)16(21-22(10)12-6-4-3-5-11(12)19)17(24)20-15-8-7-14(27-15)18(25)26-2/h3-9H,1-2H3,(H,20,24).
What are the key properties of methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate?
methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 387.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 24509329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).