N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide

C25H20F3N5O4 — CID 162600212

IUPACN-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide
SMILESCN(C(=O)c1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1
InChIInChI=1S/C25H20F3N5O4/c1-32(24(35)16-4-2-7-19(12-16)37-25(26,27)28)17-5-3-6-18(13-17)36-22-11-10-21-29-20(14-33(21)31-22)30-23(34)15-8-9-15/h2-7,10-15H,8-9H2,1H3,(H,30,34)
InChIKeyWTASNVZDCHJIKJ-UHFFFAOYSA-N
MW511.46 g/mol
LogP5.05
Rot. Bonds7

About N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide

N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide (PubChem CID 162600212) has the molecular formula C25H20F3N5O4 and a molecular weight of 511.46 g/mol. Its IUPAC name is N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide
PubChem CID162600212
Molecular FormulaC25H20F3N5O4
Molecular Weight511.46 g/mol
Exact Mass511.15
IUPAC NameN-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide
SMILESCN(C(=O)c1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1
InChIInChI=1S/C25H20F3N5O4/c1-32(24(35)16-4-2-7-19(12-16)37-25(26,27)28)17-5-3-6-18(13-17)36-22-11-10-21-29-20(14-33(21)31-22)30-23(34)15-8-9-15/h2-7,10-15H,8-9H2,1H3,(H,30,34)
InChIKeyWTASNVZDCHJIKJ-UHFFFAOYSA-N
XLogP5.05
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 143620601
N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 57386062
N-[3-[2-[[2-(dimethylamino)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 24767995
1-[3-[2-(2-cyclopropyl-2-oxoethyl)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 59548975
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 24767979
1-N'-tert-butyl-1-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]cyclopropane-1,1-dicarboxamide
CID 143840304
N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 159570415
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 71125471
N-[6-[[6-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233196
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
CID 70875087
1-[[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 70988540
N-cyclopropyloxy-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-2-amine
CID 143620600

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide (CID 162600212) is N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide is CN(C(=O)c1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1.
What is the InChIKey of N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide?
The InChIKey is WTASNVZDCHJIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O4/c1-32(24(35)16-4-2-7-19(12-16)37-25(26,27)28)17-5-3-6-18(13-17)36-22-11-10-21-29-20(14-33(21)31-22)30-23(34)15-8-9-15/h2-7,10-15H,8-9H2,1H3,(H,30,34).
What are the key properties of N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide?
N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide has a molecular weight of 511.46 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 162600212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).