methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate

C19H20FN3O4 — CID 51114145

IUPACmethyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CCCCC1
InChIInChI=1S/C19H20FN3O4/c1-27-18(26)19(11-3-2-4-12-19)21-17(25)15-9-10-16(24)23(22-15)14-7-5-13(20)6-8-14/h5-10H,2-4,11-12H2,1H3,(H,21,25)
InChIKeyBPFNKWZYNRJNOP-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.98
Rot. Bonds4

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

methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 51114145) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate
PubChem CID51114145
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Namemethyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CCCCC1
InChIInChI=1S/C19H20FN3O4/c1-27-18(26)19(11-3-2-4-12-19)21-17(25)15-9-10-16(24)23(22-15)14-7-5-13(20)6-8-14/h5-10H,2-4,11-12H2,1H3,(H,21,25)
InChIKeyBPFNKWZYNRJNOP-UHFFFAOYSA-N
XLogP1.98
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate (CID 51114145) is methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CCCCC1.
What is the InChIKey of methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is BPFNKWZYNRJNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-27-18(26)19(11-3-2-4-12-19)21-17(25)15-9-10-16(24)23(22-15)14-7-5-13(20)6-8-14/h5-10H,2-4,11-12H2,1H3,(H,21,25).
What are the key properties of methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 373.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 51114145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).