7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine

C22H19FN2S — CID 175837679

IUPAC7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine
SMILESCc1cc(C)c(-c2nnc(-c3ccc(F)c(C)c3)c3sccc23)c(C)c1
InChIInChI=1S/C22H19FN2S/c1-12-9-14(3)19(15(4)10-12)21-17-7-8-26-22(17)20(24-25-21)16-5-6-18(23)13(2)11-16/h5-11H,1-4H3
InChIKeySNHIIMUUVWVLBG-UHFFFAOYSA-N
MW362.47 g/mol
LogP6.40
Rot. Bonds2

About 7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine

7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine (PubChem CID 175837679) has the molecular formula C22H19FN2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine
PubChem CID175837679
Molecular FormulaC22H19FN2S
Molecular Weight362.47 g/mol
Exact Mass362.13
IUPAC Name7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine
SMILESCc1cc(C)c(-c2nnc(-c3ccc(F)c(C)c3)c3sccc23)c(C)c1
InChIInChI=1S/C22H19FN2S/c1-12-9-14(3)19(15(4)10-12)21-17-7-8-26-22(17)20(24-25-21)16-5-6-18(23)13(2)11-16/h5-11H,1-4H3
InChIKeySNHIIMUUVWVLBG-UHFFFAOYSA-N
XLogP6.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine?
The IUPAC name of 7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine (CID 175837679) is 7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine.
What is the SMILES notation for 7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine?
The canonical SMILES for 7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine is Cc1cc(C)c(-c2nnc(-c3ccc(F)c(C)c3)c3sccc23)c(C)c1.
What is the InChIKey of 7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine?
The InChIKey is SNHIIMUUVWVLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2S/c1-12-9-14(3)19(15(4)10-12)21-17-7-8-26-22(17)20(24-25-21)16-5-6-18(23)13(2)11-16/h5-11H,1-4H3.
What are the key properties of 7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine?
7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine has a molecular weight of 362.47 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-3-methylphenyl)-4-(2,4,6-trimethylphenyl)thieno[2,3-d]pyridazine is sourced from PubChem (CID 175837679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).