4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile

C16H8ClF3N4 — CID 157032263

IUPAC4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c([C@H]2C[C@@H]2c2cc(Cl)nn3c(F)cnc23)cc1F
InChIInChI=1S/C16H8ClF3N4/c17-14-4-11(16-22-6-15(20)24(16)23-14)9-2-8(9)10-3-12(18)7(5-21)1-13(10)19/h1,3-4,6,8-9H,2H2/t8-,9-/m0/s1
InChIKeyKWLMHUJBWRQENR-IUCAKERBSA-N
MW348.72 g/mol
LogP3.94
Rot. Bonds2

About 4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile

4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile (PubChem CID 157032263) has the molecular formula C16H8ClF3N4 and a molecular weight of 348.72 g/mol. Its IUPAC name is 4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile
PubChem CID157032263
Molecular FormulaC16H8ClF3N4
Molecular Weight348.72 g/mol
Exact Mass348.04
IUPAC Name4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c([C@H]2C[C@@H]2c2cc(Cl)nn3c(F)cnc23)cc1F
InChIInChI=1S/C16H8ClF3N4/c17-14-4-11(16-22-6-15(20)24(16)23-14)9-2-8(9)10-3-12(18)7(5-21)1-13(10)19/h1,3-4,6,8-9H,2H2/t8-,9-/m0/s1
InChIKeyKWLMHUJBWRQENR-IUCAKERBSA-N
XLogP3.94
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.72
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile?
The IUPAC name of 4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile (CID 157032263) is 4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile.
What is the SMILES notation for 4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile?
The canonical SMILES for 4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile is N#Cc1cc(F)c([C@H]2C[C@@H]2c2cc(Cl)nn3c(F)cnc23)cc1F.
What is the InChIKey of 4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile?
The InChIKey is KWLMHUJBWRQENR-IUCAKERBSA-N. The full InChI is InChI=1S/C16H8ClF3N4/c17-14-4-11(16-22-6-15(20)24(16)23-14)9-2-8(9)10-3-12(18)7(5-21)1-13(10)19/h1,3-4,6,8-9H,2H2/t8-,9-/m0/s1.
What are the key properties of 4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile?
4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile has a molecular weight of 348.72 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile is sourced from PubChem (CID 157032263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).