6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine

C14H9ClF3N5 — CID 157033953

IUPAC6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)c1ncc([C@@H]2C[C@H]2c2cc(Cl)nn3ccnc23)cn1
InChIInChI=1S/C14H9ClF3N5/c15-11-4-10(12-19-1-2-23(12)22-11)9-3-8(9)7-5-20-13(21-6-7)14(16,17)18/h1-2,4-6,8-9H,3H2/t8-,9+/m0/s1
InChIKeyAOCMKUXMRLJTLO-DTWKUNHWSA-N
MW339.71 g/mol
LogP3.46
Rot. Bonds2

About 6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine

6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 157033953) has the molecular formula C14H9ClF3N5 and a molecular weight of 339.71 g/mol. Its IUPAC name is 6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine
PubChem CID157033953
Molecular FormulaC14H9ClF3N5
Molecular Weight339.71 g/mol
Exact Mass339.05
IUPAC Name6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)c1ncc([C@@H]2C[C@H]2c2cc(Cl)nn3ccnc23)cn1
InChIInChI=1S/C14H9ClF3N5/c15-11-4-10(12-19-1-2-23(12)22-11)9-3-8(9)7-5-20-13(21-6-7)14(16,17)18/h1-2,4-6,8-9H,3H2/t8-,9+/m0/s1
InChIKeyAOCMKUXMRLJTLO-DTWKUNHWSA-N
XLogP3.46
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.71
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-8-[(1S,2S)-2-[1-(difluoromethyl)pyrazol-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033097
6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline
CID 174040066
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-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-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034093
5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-fluorobenzonitrile
CID 157033187
6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033292
4-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-methylbenzonitrile
CID 157032707
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-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032619
N-[5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-methanimidoylphenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 157034442

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine (CID 157033953) is 6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine is FC(F)(F)c1ncc([C@@H]2C[C@H]2c2cc(Cl)nn3ccnc23)cn1.
What is the InChIKey of 6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The InChIKey is AOCMKUXMRLJTLO-DTWKUNHWSA-N. The full InChI is InChI=1S/C14H9ClF3N5/c15-11-4-10(12-19-1-2-23(12)22-11)9-3-8(9)7-5-20-13(21-6-7)14(16,17)18/h1-2,4-6,8-9H,3H2/t8-,9+/m0/s1.
What are the key properties of 6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine has a molecular weight of 339.71 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157033953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).