6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide

C19H13ClF4N4O3 — CID 135303738

IUPAC6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide
SMILESO=C(NC(CO)C(F)(F)F)c1cc(-c2ccc(Cl)cc2)nn(-c2cncc(F)c2)c1=O
InChIInChI=1S/C19H13ClF4N4O3/c20-11-3-1-10(2-4-11)15-6-14(17(30)26-16(9-29)19(22,23)24)18(31)28(27-15)13-5-12(21)7-25-8-13/h1-8,16,29H,9H2,(H,26,30)
InChIKeyZWPQZLVIZRAMHP-UHFFFAOYSA-N
MW456.78 g/mol
LogP2.74
Rot. Bonds5

About 6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide

6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide (PubChem CID 135303738) has the molecular formula C19H13ClF4N4O3 and a molecular weight of 456.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide
PubChem CID135303738
Molecular FormulaC19H13ClF4N4O3
Molecular Weight456.78 g/mol
Exact Mass456.06
IUPAC Name6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide
SMILESO=C(NC(CO)C(F)(F)F)c1cc(-c2ccc(Cl)cc2)nn(-c2cncc(F)c2)c1=O
InChIInChI=1S/C19H13ClF4N4O3/c20-11-3-1-10(2-4-11)15-6-14(17(30)26-16(9-29)19(22,23)24)18(31)28(27-15)13-5-12(21)7-25-8-13/h1-8,16,29H,9H2,(H,26,30)
InChIKeyZWPQZLVIZRAMHP-UHFFFAOYSA-N
XLogP2.74
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.78
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide (CID 135303738) is 6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide is O=C(NC(CO)C(F)(F)F)c1cc(-c2ccc(Cl)cc2)nn(-c2cncc(F)c2)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide?
The InChIKey is ZWPQZLVIZRAMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF4N4O3/c20-11-3-1-10(2-4-11)15-6-14(17(30)26-16(9-29)19(22,23)24)18(31)28(27-15)13-5-12(21)7-25-8-13/h1-8,16,29H,9H2,(H,26,30).
What are the key properties of 6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide?
6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide has a molecular weight of 456.78 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 135303738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).