6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline

C19H12ClF3N4 — CID 174040066

IUPAC6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc([C@H]2CC2c2cc(Cl)nn3ccnc23)cc2cccnc12
InChIInChI=1S/C19H12ClF3N4/c20-16-9-14(18-25-4-5-27(18)26-16)13-8-12(13)11-6-10-2-1-3-24-17(10)15(7-11)19(21,22)23/h1-7,9,12-13H,8H2/t12-,13?/m1/s1
InChIKeyQYBOPKGKAFCKOK-PZORYLMUSA-N
MW388.78 g/mol
LogP5.22
Rot. Bonds2

About 6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline

6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline (PubChem CID 174040066) has the molecular formula C19H12ClF3N4 and a molecular weight of 388.78 g/mol. Its IUPAC name is 6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline
PubChem CID174040066
Molecular FormulaC19H12ClF3N4
Molecular Weight388.78 g/mol
Exact Mass388.07
IUPAC Name6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc([C@H]2CC2c2cc(Cl)nn3ccnc23)cc2cccnc12
InChIInChI=1S/C19H12ClF3N4/c20-16-9-14(18-25-4-5-27(18)26-16)13-8-12(13)11-6-10-2-1-3-24-17(10)15(7-11)19(21,22)23/h1-7,9,12-13H,8H2/t12-,13?/m1/s1
InChIKeyQYBOPKGKAFCKOK-PZORYLMUSA-N
XLogP5.22
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.78
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033953
3-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]benzoic acid
CID 167436342
7-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-5-(trifluoromethyl)quinoline
CID 157032197
6-chloro-8-[(1S,2S)-2-[1-(difluoromethyl)pyrazol-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033097
6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033292
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
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-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032619
6-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-1-(2,2,2-trifluoroethyl)indazole-3-carbonitrile
CID 157033897

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline?
The IUPAC name of 6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline (CID 174040066) is 6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline?
The canonical SMILES for 6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline is FC(F)(F)c1cc([C@H]2CC2c2cc(Cl)nn3ccnc23)cc2cccnc12.
What is the InChIKey of 6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline?
The InChIKey is QYBOPKGKAFCKOK-PZORYLMUSA-N. The full InChI is InChI=1S/C19H12ClF3N4/c20-16-9-14(18-25-4-5-27(18)26-16)13-8-12(13)11-6-10-2-1-3-24-17(10)15(7-11)19(21,22)23/h1-7,9,12-13H,8H2/t12-,13?/m1/s1.
What are the key properties of 6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline?
6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline has a molecular weight of 388.78 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 174040066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).