4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C18H18FN3O4 — CID 75429283

IUPAC4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1nn(-c2cccc(F)c2)ccc1=O
InChIInChI=1S/C18H18FN3O4/c19-12-2-1-3-14(10-12)22-9-8-15(23)16(21-22)17(24)20-13-6-4-11(5-7-13)18(25)26/h1-3,8-11,13H,4-7H2,(H,20,24)(H,25,26)
InChIKeyABOBVIXIICIINC-UHFFFAOYSA-N
MW359.36 g/mol
LogP1.74
Rot. Bonds4

About 4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 75429283) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID75429283
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1nn(-c2cccc(F)c2)ccc1=O
InChIInChI=1S/C18H18FN3O4/c19-12-2-1-3-14(10-12)22-9-8-15(23)16(21-22)17(24)20-13-6-4-11(5-7-13)18(25)26/h1-3,8-11,13H,4-7H2,(H,20,24)(H,25,26)
InChIKeyABOBVIXIICIINC-UHFFFAOYSA-N
XLogP1.74
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 75429283) is 4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1nn(-c2cccc(F)c2)ccc1=O.
What is the InChIKey of 4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ABOBVIXIICIINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c19-12-2-1-3-14(10-12)22-9-8-15(23)16(21-22)17(24)20-13-6-4-11(5-7-13)18(25)26/h1-3,8-11,13H,4-7H2,(H,20,24)(H,25,26).
What are the key properties of 4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 359.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 75429283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).