6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine

C10H9ClF2N4 — CID 157033258

IUPAC6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESF[C@@H]1CN(c2cc(Cl)nn3ccnc23)C[C@@H]1F
InChIInChI=1S/C10H9ClF2N4/c11-9-3-8(10-14-1-2-17(10)15-9)16-4-6(12)7(13)5-16/h1-3,6-7H,4-5H2/t6-,7+
InChIKeyUOYAGBOHOKHDFT-KNVOCYPGSA-N
MW258.66 g/mol
LogP1.88
Rot. Bonds1

About 6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine

6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 157033258) has the molecular formula C10H9ClF2N4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID157033258
Molecular FormulaC10H9ClF2N4
Molecular Weight258.66 g/mol
Exact Mass258.05
IUPAC Name6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESF[C@@H]1CN(c2cc(Cl)nn3ccnc23)C[C@@H]1F
InChIInChI=1S/C10H9ClF2N4/c11-9-3-8(10-14-1-2-17(10)15-9)16-4-6(12)7(13)5-16/h1-3,6-7H,4-5H2/t6-,7+
InChIKeyUOYAGBOHOKHDFT-KNVOCYPGSA-N
XLogP1.88
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine
CID 157033945
6-chloro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine
CID 157033680
[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-3-fluoroazetidin-3-yl]methanol
CID 157032463
3-[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)azetidin-3-yl]benzoic acid
CID 167436244
8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine
CID 157034233
6-chloro-8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine
CID 157034181
5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368626
6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032424
6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 157034388
6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033953
6-chloro-8-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 89429140
6-chloro-8-[(1S,2S)-2-[1-(difluoromethyl)pyrazol-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033097

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine (CID 157033258) is 6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine is F[C@@H]1CN(c2cc(Cl)nn3ccnc23)C[C@@H]1F.
What is the InChIKey of 6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is UOYAGBOHOKHDFT-KNVOCYPGSA-N. The full InChI is InChI=1S/C10H9ClF2N4/c11-9-3-8(10-14-1-2-17(10)15-9)16-4-6(12)7(13)5-16/h1-3,6-7H,4-5H2/t6-,7+.
What are the key properties of 6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 258.66 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157033258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).