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

C17H11ClF4N6 — CID 157032325

IUPAC6-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
SMILESFc1cnc2c([C@H]3C[C@@H]3c3ccc4cnn(CC(F)(F)F)c4n3)cc(Cl)nn12
InChIInChI=1S/C17H11ClF4N6/c18-13-4-11(16-23-6-14(19)28(16)26-13)9-3-10(9)12-2-1-8-5-24-27(15(8)25-12)7-17(20,21)22/h1-2,4-6,9-10H,3,7H2/t9-,10-/m0/s1
InChIKeyXPSDZZVFELIOKV-UWVGGRQHSA-N
MW410.76 g/mol
LogP4.10
Rot. Bonds3

About 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

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 (PubChem CID 157032325) 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[5,4-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[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
PubChem CID157032325
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[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFc1cnc2c([C@H]3C[C@@H]3c3ccc4cnn(CC(F)(F)F)c4n3)cc(Cl)nn12
InChIInChI=1S/C17H11ClF4N6/c18-13-4-11(16-23-6-14(19)28(16)26-13)9-3-10(9)12-2-1-8-5-24-27(15(8)25-12)7-17(20,21)22/h1-2,4-6,9-10H,3,7H2/t9-,10-/m0/s1
InChIKeyXPSDZZVFELIOKV-UWVGGRQHSA-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-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-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-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine
CID 157033432
6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 175843057
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-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
methyl 4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]benzoate
CID 157032806
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
5-[3-chloro-8-[(1R,2R)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032743
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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1cnc2c([C@H]3C[C@@H]3c3ccc4cnn(CC(F)(F)F)c4n3)cc(Cl)nn12.
What is the InChIKey of 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?
The InChIKey is XPSDZZVFELIOKV-UWVGGRQHSA-N. The full InChI is InChI=1S/C17H11ClF4N6/c18-13-4-11(16-23-6-14(19)28(16)26-13)9-3-10(9)12-2-1-8-5-24-27(15(8)25-12)7-17(20,21)22/h1-2,4-6,9-10H,3,7H2/t9-,10-/m0/s1.
What are the key properties of 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?
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 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[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157032325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).