N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C22H17F3N6O — CID 122292140

IUPACN-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C22H17F3N6O/c23-22(24,25)16-4-1-3-15(13-16)14-21(32)28-18-7-5-17(6-8-18)27-19-9-10-20(30-29-19)31-12-2-11-26-31/h1-13H,14H2,(H,27,29)(H,28,32)
InChIKeyCPVCNDCRUYCPSK-UHFFFAOYSA-N
MW438.41 g/mol
LogP4.61
Rot. Bonds6

About N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 122292140) has the molecular formula C22H17F3N6O and a molecular weight of 438.41 g/mol. Its IUPAC name is N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID122292140
Molecular FormulaC22H17F3N6O
Molecular Weight438.41 g/mol
Exact Mass438.14
IUPAC NameN-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C22H17F3N6O/c23-22(24,25)16-4-1-3-15(13-16)14-21(32)28-18-7-5-17(6-8-18)27-19-9-10-20(30-29-19)31-12-2-11-26-31/h1-13H,14H2,(H,27,29)(H,28,32)
InChIKeyCPVCNDCRUYCPSK-UHFFFAOYSA-N
XLogP4.61
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 122292138
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122292158
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122292130
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 70702543
2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 70702527
benzyl N-[2-oxo-2-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]anilino]ethyl]carbamate
CID 122292113
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122296854
N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 53493640
N-methyl-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 8700304
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848940

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 122292140) is N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1.
What is the InChIKey of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CPVCNDCRUYCPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N6O/c23-22(24,25)16-4-1-3-15(13-16)14-21(32)28-18-7-5-17(6-8-18)27-19-9-10-20(30-29-19)31-12-2-11-26-31/h1-13H,14H2,(H,27,29)(H,28,32).
What are the key properties of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 438.41 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122292140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).