6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine

C15H9ClF3N3 — CID 157032424

IUPAC6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFc1cc(F)c(F)c([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)c1
InChIInChI=1S/C15H9ClF3N3/c16-13-6-11(15-20-1-2-22(15)21-13)9-5-8(9)10-3-7(17)4-12(18)14(10)19/h1-4,6,8-9H,5H2/t8-,9-/m0/s1
InChIKeyPRXAEONJUQDGRR-IUCAKERBSA-N
MW323.71 g/mol
LogP4.07
Rot. Bonds2

About 6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine

6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 157032424) has the molecular formula C15H9ClF3N3 and a molecular weight of 323.71 g/mol. Its IUPAC name is 6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine
PubChem CID157032424
Molecular FormulaC15H9ClF3N3
Molecular Weight323.71 g/mol
Exact Mass323.04
IUPAC Name6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFc1cc(F)c(F)c([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)c1
InChIInChI=1S/C15H9ClF3N3/c16-13-6-11(15-20-1-2-22(15)21-13)9-5-8(9)10-3-7(17)4-12(18)14(10)19/h1-4,6,8-9H,5H2/t8-,9-/m0/s1
InChIKeyPRXAEONJUQDGRR-IUCAKERBSA-N
XLogP4.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile
CID 157033187
6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033953
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]-4'-fluoro-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 175843040
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)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline
CID 174040066
6-chloro-8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine
CID 157034181
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
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine (CID 157032424) is 6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine is Fc1cc(F)c(F)c([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)c1.
What is the InChIKey of 6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine?
The InChIKey is PRXAEONJUQDGRR-IUCAKERBSA-N. The full InChI is InChI=1S/C15H9ClF3N3/c16-13-6-11(15-20-1-2-22(15)21-13)9-5-8(9)10-3-7(17)4-12(18)14(10)19/h1-4,6,8-9H,5H2/t8-,9-/m0/s1.
What are the key properties of 6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine?
6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine has a molecular weight of 323.71 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157032424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).