3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide

C21H15FN4O2 — CID 46205832

IUPAC3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1nncc2nc(Oc3ccc(F)cc3)ccc12
InChIInChI=1S/C21H15FN4O2/c1-12-2-3-13(21(23)27)10-17(12)20-16-8-9-19(25-18(16)11-24-26-20)28-15-6-4-14(22)5-7-15/h2-11H,1H3,(H2,23,27)
InChIKeyDZIGXCDENKQNHR-UHFFFAOYSA-N
MW374.38 g/mol
LogP4.03
Rot. Bonds4

About 3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide

3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide (PubChem CID 46205832) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide
PubChem CID46205832
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1nncc2nc(Oc3ccc(F)cc3)ccc12
InChIInChI=1S/C21H15FN4O2/c1-12-2-3-13(21(23)27)10-17(12)20-16-8-9-19(25-18(16)11-24-26-20)28-15-6-4-14(22)5-7-15/h2-11H,1H3,(H2,23,27)
InChIKeyDZIGXCDENKQNHR-UHFFFAOYSA-N
XLogP4.03
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide 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 3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide?
The IUPAC name of 3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide (CID 46205832) is 3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide?
The canonical SMILES for 3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide is Cc1ccc(C(N)=O)cc1-c1nncc2nc(Oc3ccc(F)cc3)ccc12.
What is the InChIKey of 3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide?
The InChIKey is DZIGXCDENKQNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c1-12-2-3-13(21(23)27)10-17(12)20-16-8-9-19(25-18(16)11-24-26-20)28-15-6-4-14(22)5-7-15/h2-11H,1H3,(H2,23,27).
What are the key properties of 3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide?
3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide has a molecular weight of 374.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide is sourced from PubChem (CID 46205832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).