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

C22H17FN4O2 — CID 46205835

IUPAC3-[2-(4-fluoro-2-methylphenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide
SMILESCc1cc(F)ccc1Oc1ccc2c(-c3cc(C(N)=O)ccc3C)nncc2n1
InChIInChI=1S/C22H17FN4O2/c1-12-3-4-14(22(24)28)10-17(12)21-16-6-8-20(26-18(16)11-25-27-21)29-19-7-5-15(23)9-13(19)2/h3-11H,1-2H3,(H2,24,28)
InChIKeyFGPHNSWRZKDUOC-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.34
Rot. Bonds4

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

3-[2-(4-fluoro-2-methylphenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide (PubChem CID 46205835) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 3-[2-(4-fluoro-2-methylphenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[2-(4-fluoro-2-methylphenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide
PubChem CID46205835
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name3-[2-(4-fluoro-2-methylphenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide
SMILESCc1cc(F)ccc1Oc1ccc2c(-c3cc(C(N)=O)ccc3C)nncc2n1
InChIInChI=1S/C22H17FN4O2/c1-12-3-4-14(22(24)28)10-17(12)21-16-6-8-20(26-18(16)11-25-27-21)29-19-7-5-15(23)9-13(19)2/h3-11H,1-2H3,(H2,24,28)
InChIKeyFGPHNSWRZKDUOC-UHFFFAOYSA-N
XLogP4.34
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoro-2-methylphenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide?
The IUPAC name of 3-[2-(4-fluoro-2-methylphenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide (CID 46205835) is 3-[2-(4-fluoro-2-methylphenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide.
What is the SMILES notation for 3-[2-(4-fluoro-2-methylphenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide?
The canonical SMILES for 3-[2-(4-fluoro-2-methylphenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide is Cc1cc(F)ccc1Oc1ccc2c(-c3cc(C(N)=O)ccc3C)nncc2n1.
What is the InChIKey of 3-[2-(4-fluoro-2-methylphenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide?
The InChIKey is FGPHNSWRZKDUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c1-12-3-4-14(22(24)28)10-17(12)21-16-6-8-20(26-18(16)11-25-27-21)29-19-7-5-15(23)9-13(19)2/h3-11H,1-2H3,(H2,24,28).
What are the key properties of 3-[2-(4-fluoro-2-methylphenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide?
3-[2-(4-fluoro-2-methylphenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide has a molecular weight of 388.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluoro-2-methylphenoxy)pyrido[2,3-d]pyridazin-5-yl]-4-methylbenzamide is sourced from PubChem (CID 46205835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).