6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine

C16H10ClF4N3O — CID 175843057

IUPAC6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFc1cnc2c([C@@H]3C[C@@H]3c3ccc(OC(F)(F)F)cc3)cc(Cl)nn12
InChIInChI=1S/C16H10ClF4N3O/c17-13-6-12(15-22-7-14(18)24(15)23-13)11-5-10(11)8-1-3-9(4-2-8)25-16(19,20)21/h1-4,6-7,10-11H,5H2/t10-,11-/m1/s1
InChIKeyVWXNGCLHXPMSKI-GHMZBOCLSA-N
MW371.72 g/mol
LogP4.69
Rot. Bonds3

About 6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine

6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 175843057) has the molecular formula C16H10ClF4N3O and a molecular weight of 371.72 g/mol. Its IUPAC name is 6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
PubChem CID175843057
Molecular FormulaC16H10ClF4N3O
Molecular Weight371.72 g/mol
Exact Mass371.04
IUPAC Name6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFc1cnc2c([C@@H]3C[C@@H]3c3ccc(OC(F)(F)F)cc3)cc(Cl)nn12
InChIInChI=1S/C16H10ClF4N3O/c17-13-6-12(15-22-7-14(18)24(15)23-13)11-5-10(11)8-1-3-9(4-2-8)25-16(19,20)21/h1-4,6-7,10-11H,5H2/t10-,11-/m1/s1
InChIKeyVWXNGCLHXPMSKI-GHMZBOCLSA-N
XLogP4.69
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.72
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-fluoro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033460
6-chloro-8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazine
CID 163216790
4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile
CID 157032263
6-chloro-3-fluoro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032325
6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033953
cis-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888219
2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 22619922
5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile
CID 157033778
6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2S)-2-[3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032941
5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 167340219
6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2S)-2-[3-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)benzimidazol-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 170687633
4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile
CID 174040149

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine (CID 175843057) is 6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine is Fc1cnc2c([C@@H]3C[C@@H]3c3ccc(OC(F)(F)F)cc3)cc(Cl)nn12.
What is the InChIKey of 6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine?
The InChIKey is VWXNGCLHXPMSKI-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H10ClF4N3O/c17-13-6-12(15-22-7-14(18)24(15)23-13)11-5-10(11)8-1-3-9(4-2-8)25-16(19,20)21/h1-4,6-7,10-11H,5H2/t10-,11-/m1/s1.
What are the key properties of 6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine?
6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine has a molecular weight of 371.72 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 175843057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).