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

C17H11ClF4N6 — CID 157033460

IUPAC6-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
SMILESFc1cnc2c([C@H]3C[C@@H]3c3cnc4cnn(CC(F)(F)F)c4c3)cc(Cl)nn12
InChIInChI=1S/C17H11ClF4N6/c18-14-3-11(16-24-6-15(19)28(16)26-14)10-2-9(10)8-1-13-12(23-4-8)5-25-27(13)7-17(20,21)22/h1,3-6,9-10H,2,7H2/t9-,10+/m1/s1
InChIKeyNVTNTZJYJSIRTL-ZJUUUORDSA-N
MW410.76 g/mol
LogP4.10
Rot. Bonds3

About 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

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 (PubChem CID 157033460) has the molecular formula C17H11ClF4N6 and a molecular weight of 410.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID157033460
Molecular FormulaC17H11ClF4N6
Molecular Weight410.76 g/mol
Exact Mass410.07
IUPAC Name6-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
SMILESFc1cnc2c([C@H]3C[C@@H]3c3cnc4cnn(CC(F)(F)F)c4c3)cc(Cl)nn12
InChIInChI=1S/C17H11ClF4N6/c18-14-3-11(16-24-6-15(19)28(16)26-14)10-2-9(10)8-1-13-12(23-4-8)5-25-27(13)7-17(20,21)22/h1,3-6,9-10H,2,7H2/t9-,10+/m1/s1
InChIKeyNVTNTZJYJSIRTL-ZJUUUORDSA-N
XLogP4.10
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.76
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2R)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 174040197
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-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 175843057
6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine
CID 166827784
6-chloro-8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazine
CID 163216790
methyl 4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]benzoate
CID 157032806
6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine
CID 157033432
4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile
CID 157032263
6-[(2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine
CID 175843039
6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 166826727
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1cnc2c([C@H]3C[C@@H]3c3cnc4cnn(CC(F)(F)F)c4c3)cc(Cl)nn12.
What is the InChIKey of 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?
The InChIKey is NVTNTZJYJSIRTL-ZJUUUORDSA-N. The full InChI is InChI=1S/C17H11ClF4N6/c18-14-3-11(16-24-6-15(19)28(16)26-14)10-2-9(10)8-1-13-12(23-4-8)5-25-27(13)7-17(20,21)22/h1,3-6,9-10H,2,7H2/t9-,10+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 410.76 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157033460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).