6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine

C17H14ClF2N3O — CID 157033292

IUPAC6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFC(F)COc1ccc([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)cc1
InChIInChI=1S/C17H14ClF2N3O/c18-15-8-14(17-21-5-6-23(17)22-15)13-7-12(13)10-1-3-11(4-2-10)24-9-16(19)20/h1-6,8,12-13,16H,7,9H2/t12-,13+/m1/s1
InChIKeyJKROWPYVNXZCAE-OLZOCXBDSA-N
MW349.77 g/mol
LogP4.30
Rot. Bonds5

About 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine

6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 157033292) has the molecular formula C17H14ClF2N3O and a molecular weight of 349.77 g/mol. Its IUPAC name is 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
PubChem CID157033292
Molecular FormulaC17H14ClF2N3O
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFC(F)COc1ccc([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)cc1
InChIInChI=1S/C17H14ClF2N3O/c18-15-8-14(17-21-5-6-23(17)22-15)13-7-12(13)10-1-3-11(4-2-10)24-9-16(19)20/h1-6,8,12-13,16H,7,9H2/t12-,13+/m1/s1
InChIKeyJKROWPYVNXZCAE-OLZOCXBDSA-N
XLogP4.30
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033991
5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile
CID 157033187
6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032424
4-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-methylbenzonitrile
CID 157032707
3-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]benzoic acid
CID 167436342
6-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-1-(2,2,2-trifluoroethyl)indazole-3-carbonitrile
CID 157033897
6-[2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-b]pyridin-2-one
CID 166826518
5'-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-4'-fluoro-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 175843040
6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032271
6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034093
5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032708
5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034809

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine (CID 157033292) is 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine is FC(F)COc1ccc([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)cc1.
What is the InChIKey of 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine?
The InChIKey is JKROWPYVNXZCAE-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H14ClF2N3O/c18-15-8-14(17-21-5-6-23(17)22-15)13-7-12(13)10-1-3-11(4-2-10)24-9-16(19)20/h1-6,8,12-13,16H,7,9H2/t12-,13+/m1/s1.
What are the key properties of 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine?
6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine has a molecular weight of 349.77 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157033292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).