N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide

C22H16F3N5O3 — CID 57386062

IUPACN-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2n1
InChIInChI=1S/C22H16F3N5O3/c1-13(31)26-18-12-30-19(28-18)8-9-20(29-30)33-17-7-3-6-16(11-17)27-21(32)14-4-2-5-15(10-14)22(23,24)25/h2-12H,1H3,(H,26,31)(H,27,32)
InChIKeyFUVJCBGFBOODOA-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.75
Rot. Bonds5

About N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide

N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 57386062) has the molecular formula C22H16F3N5O3 and a molecular weight of 455.40 g/mol. Its IUPAC name is N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
PubChem CID57386062
Molecular FormulaC22H16F3N5O3
Molecular Weight455.40 g/mol
Exact Mass455.12
IUPAC NameN-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2n1
InChIInChI=1S/C22H16F3N5O3/c1-13(31)26-18-12-30-19(28-18)8-9-20(29-30)33-17-7-3-6-16(11-17)27-21(32)14-4-2-5-15(10-14)22(23,24)25/h2-12H,1H3,(H,26,31)(H,27,32)
InChIKeyFUVJCBGFBOODOA-UHFFFAOYSA-N
XLogP4.75
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-[[2-(dimethylamino)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 24767995
N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide
CID 59175242
3-methyl-N-[6-[3-[(3-phosphanylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]thiophene-2-carboxamide
CID 143620257
N-[3-[6-imino-1-[(E)-2-nitrosoethenyl]pyridazin-3-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 143879190
N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide
CID 59175501
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 59507013
3-methoxy-N-[3-[[[3-(trifluoromethyl)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 126228131
3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[3-(1,1-difluoroethyl)phenyl]benzamide
CID 139297566
N-[3-[2-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 58349020
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide (CID 57386062) is N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide is CC(=O)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2n1.
What is the InChIKey of N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is FUVJCBGFBOODOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3/c1-13(31)26-18-12-30-19(28-18)8-9-20(29-30)33-17-7-3-6-16(11-17)27-21(32)14-4-2-5-15(10-14)22(23,24)25/h2-12H,1H3,(H,26,31)(H,27,32).
What are the key properties of N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide?
N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 455.40 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 57386062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).