5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile

C16H10ClFN4 — CID 157033187

IUPAC5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile
SMILESN#Cc1cc([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)ccc1F
InChIInChI=1S/C16H10ClFN4/c17-15-7-13(16-20-3-4-22(16)21-15)12-6-11(12)9-1-2-14(18)10(5-9)8-19/h1-5,7,11-12H,6H2/t11-,12+/m1/s1
InChIKeyWMZDDQRTPXYUSH-NEPJUHHUSA-N
MW312.74 g/mol
LogP3.66
Rot. Bonds2

About 5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile

5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile (PubChem CID 157033187) has the molecular formula C16H10ClFN4 and a molecular weight of 312.74 g/mol. Its IUPAC name is 5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile
PubChem CID157033187
Molecular FormulaC16H10ClFN4
Molecular Weight312.74 g/mol
Exact Mass312.06
IUPAC Name5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile
SMILESN#Cc1cc([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)ccc1F
InChIInChI=1S/C16H10ClFN4/c17-15-7-13(16-20-3-4-22(16)21-15)12-6-11(12)9-1-2-14(18)10(5-9)8-19/h1-5,7,11-12H,6H2/t11-,12+/m1/s1
InChIKeyWMZDDQRTPXYUSH-NEPJUHHUSA-N
XLogP3.66
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-methylbenzonitrile
CID 157032707
6-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-1-(2,2,2-trifluoroethyl)indazole-3-carbonitrile
CID 157033897
6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032424
3-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]benzoic acid
CID 167436342
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
6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032619
4-[(1S,2S)-2-(6-chloro-3-fluoroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2,5-difluorobenzonitrile
CID 157032263
6'-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-1'-(2,2,3,3,3-pentafluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 157034805
N-[5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-methanimidoylphenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 157034442
5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034901
5-[8-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034228

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile (CID 157033187) is 5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile is N#Cc1cc([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)ccc1F.
What is the InChIKey of 5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile?
The InChIKey is WMZDDQRTPXYUSH-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H10ClFN4/c17-15-7-13(16-20-3-4-22(16)21-15)12-6-11(12)9-1-2-14(18)10(5-9)8-19/h1-5,7,11-12H,6H2/t11-,12+/m1/s1.
What are the key properties of 5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile?
5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile has a molecular weight of 312.74 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile is sourced from PubChem (CID 157033187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).