methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate

C18H14F2N4O2S — CID 152566275

IUPACmethyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(SC)cn1
InChIInChI=1S/C18H14F2N4O2S/c1-26-18(25)17-14(22-15-7-6-10(27-2)9-21-15)8-13(23-24-17)16-11(19)4-3-5-12(16)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyYQNZGNIFERMZDA-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.07
Rot. Bonds5

About methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate

methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate (PubChem CID 152566275) has the molecular formula C18H14F2N4O2S and a molecular weight of 388.40 g/mol. Its IUPAC name is methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate
PubChem CID152566275
Molecular FormulaC18H14F2N4O2S
Molecular Weight388.40 g/mol
Exact Mass388.08
IUPAC Namemethyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(SC)cn1
InChIInChI=1S/C18H14F2N4O2S/c1-26-18(25)17-14(22-15-7-6-10(27-2)9-21-15)8-13(23-24-17)16-11(19)4-3-5-12(16)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyYQNZGNIFERMZDA-UHFFFAOYSA-N
XLogP4.07
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate (CID 152566275) is methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate is COC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(SC)cn1.
What is the InChIKey of methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate?
The InChIKey is YQNZGNIFERMZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2S/c1-26-18(25)17-14(22-15-7-6-10(27-2)9-21-15)8-13(23-24-17)16-11(19)4-3-5-12(16)20/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate?
methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate has a molecular weight of 388.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 152566275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).