2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide

C22H18FN5O2 — CID 67107787

IUPAC2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide
SMILESCn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)Nc3ccnnc3)c2)cn1
InChIInChI=1S/C22H18FN5O2/c1-28-13-17(11-26-28)16-4-7-21(30-14-15-2-5-18(23)6-3-15)20(10-16)22(29)27-19-8-9-24-25-12-19/h2-13H,14H2,1H3,(H,24,27,29)
InChIKeyVWLQYERJVMLOBB-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.85
Rot. Bonds6

About 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide

2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide (PubChem CID 67107787) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide
PubChem CID67107787
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide
SMILESCn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)Nc3ccnnc3)c2)cn1
InChIInChI=1S/C22H18FN5O2/c1-28-13-17(11-26-28)16-4-7-21(30-14-15-2-5-18(23)6-3-15)20(10-16)22(29)27-19-8-9-24-25-12-19/h2-13H,14H2,1H3,(H,24,27,29)
InChIKeyVWLQYERJVMLOBB-UHFFFAOYSA-N
XLogP3.85
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide (CID 67107787) is 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide is Cn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)Nc3ccnnc3)c2)cn1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide?
The InChIKey is VWLQYERJVMLOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-28-13-17(11-26-28)16-4-7-21(30-14-15-2-5-18(23)6-3-15)20(10-16)22(29)27-19-8-9-24-25-12-19/h2-13H,14H2,1H3,(H,24,27,29).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide?
2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide has a molecular weight of 403.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 67107787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).