2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide

C22H18FN5O2S — CID 121122269

IUPAC2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1nc(-c2cccnc2)sc1CNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C22H18FN5O2S/c1-14-19(31-22(26-14)16-3-2-10-24-11-16)12-25-20(29)13-28-21(30)9-8-18(27-28)15-4-6-17(23)7-5-15/h2-11H,12-13H2,1H3,(H,25,29)
InChIKeyCHEVISVHBYYKDF-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.19
Rot. Bonds6

About 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 121122269) has the molecular formula C22H18FN5O2S and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID121122269
Molecular FormulaC22H18FN5O2S
Molecular Weight435.48 g/mol
Exact Mass435.12
IUPAC Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1nc(-c2cccnc2)sc1CNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C22H18FN5O2S/c1-14-19(31-22(26-14)16-3-2-10-24-11-16)12-25-20(29)13-28-21(30)9-8-18(27-28)15-4-6-17(23)7-5-15/h2-11H,12-13H2,1H3,(H,25,29)
InChIKeyCHEVISVHBYYKDF-UHFFFAOYSA-N
XLogP3.19
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547206
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121123245
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052508
2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 121122099
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121123709
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide
CID 121122040
N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052387
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051596
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7659841
2-(6-oxo-3-phenylpyridazin-1-yl)-N-pyridin-3-ylacetamide
CID 44754046
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 121050677
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide (CID 121122269) is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide is Cc1nc(-c2cccnc2)sc1CNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is CHEVISVHBYYKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2S/c1-14-19(31-22(26-14)16-3-2-10-24-11-16)12-25-20(29)13-28-21(30)9-8-18(27-28)15-4-6-17(23)7-5-15/h2-11H,12-13H2,1H3,(H,25,29).
What are the key properties of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide?
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 435.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 121122269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).