4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide

C22H18FN5O2 — CID 56683476

IUPAC4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide
SMILESCOc1cc(-c2ccc(NC(=O)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H18FN5O2/c1-14-12-28(13-24-14)19-9-5-16(11-20(19)30-2)18-8-10-21(27-26-18)25-22(29)15-3-6-17(23)7-4-15/h3-13H,1-2H3,(H,25,27,29)
InChIKeyWHNCUGUWTNNWNG-UHFFFAOYSA-N
MW403.42 g/mol
LogP4.04
Rot. Bonds5

About 4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide

4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide (PubChem CID 56683476) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide
PubChem CID56683476
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide
SMILESCOc1cc(-c2ccc(NC(=O)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H18FN5O2/c1-14-12-28(13-24-14)19-9-5-16(11-20(19)30-2)18-8-10-21(27-26-18)25-22(29)15-3-6-17(23)7-4-15/h3-13H,1-2H3,(H,25,27,29)
InChIKeyWHNCUGUWTNNWNG-UHFFFAOYSA-N
XLogP4.04
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide (CID 56683476) is 4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide is COc1cc(-c2ccc(NC(=O)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide?
The InChIKey is WHNCUGUWTNNWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-14-12-28(13-24-14)19-9-5-16(11-20(19)30-2)18-8-10-21(27-26-18)25-22(29)15-3-6-17(23)7-4-15/h3-13H,1-2H3,(H,25,27,29).
What are the key properties of 4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide?
4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide has a molecular weight of 403.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]benzamide is sourced from PubChem (CID 56683476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).