2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide

C23H20ClFN6O — CID 122292594

IUPAC2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide
SMILESCc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)Cc4c(F)cccc4Cl)cc3)nn2)n1
InChIInChI=1S/C23H20ClFN6O/c1-14-12-15(2)31(30-14)22-11-10-21(28-29-22)26-16-6-8-17(9-7-16)27-23(32)13-18-19(24)4-3-5-20(18)25/h3-12H,13H2,1-2H3,(H,26,28)(H,27,32)
InChIKeyMJXGJFBSALVENJ-UHFFFAOYSA-N
MW450.91 g/mol
LogP5.00
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide (PubChem CID 122292594) has the molecular formula C23H20ClFN6O and a molecular weight of 450.91 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide
PubChem CID122292594
Molecular FormulaC23H20ClFN6O
Molecular Weight450.91 g/mol
Exact Mass450.14
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide
SMILESCc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)Cc4c(F)cccc4Cl)cc3)nn2)n1
InChIInChI=1S/C23H20ClFN6O/c1-14-12-15(2)31(30-14)22-11-10-21(28-29-22)26-16-6-8-17(9-7-16)27-23(32)13-18-19(24)4-3-5-20(18)25/h3-12H,13H2,1-2H3,(H,26,28)(H,27,32)
InChIKeyMJXGJFBSALVENJ-UHFFFAOYSA-N
XLogP5.00
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.91
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122292158
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 122292474
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylacetamide
CID 122292562
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317294
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122326153
2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-6-fluorobenzamide
CID 122305398
3-(dimethylamino)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzamide
CID 122292500
2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide
CID 114299939
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28831544
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide
CID 122292555

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide (CID 122292594) is 2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide is Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)Cc4c(F)cccc4Cl)cc3)nn2)n1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide?
The InChIKey is MJXGJFBSALVENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O/c1-14-12-15(2)31(30-14)22-11-10-21(28-29-22)26-16-6-8-17(9-7-16)27-23(32)13-18-19(24)4-3-5-20(18)25/h3-12H,13H2,1-2H3,(H,26,28)(H,27,32).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide has a molecular weight of 450.91 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 122292594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).