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

C14H9ClF3N5 — CID 157032270

IUPAC6-chloro-8-[(1S,2S)-2-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)c1cnc([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)nc1
InChIInChI=1S/C14H9ClF3N5/c15-11-4-10(13-19-1-2-23(13)22-11)8-3-9(8)12-20-5-7(6-21-12)14(16,17)18/h1-2,4-6,8-9H,3H2/t8-,9-/m0/s1
InChIKeySUYQLOHKLORJLX-IUCAKERBSA-N
MW339.71 g/mol
LogP3.46
Rot. Bonds2

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

6-chloro-8-[(1S,2S)-2-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 157032270) has the molecular formula C14H9ClF3N5 and a molecular weight of 339.71 g/mol. Its IUPAC name is 6-chloro-8-[(1S,2S)-2-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[(1S,2S)-2-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopropyl]imidazo[1,2-b]pyridazine
PubChem CID157032270
Molecular FormulaC14H9ClF3N5
Molecular Weight339.71 g/mol
Exact Mass339.05
IUPAC Name6-chloro-8-[(1S,2S)-2-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)c1cnc([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)nc1
InChIInChI=1S/C14H9ClF3N5/c15-11-4-10(13-19-1-2-23(13)22-11)8-3-9(8)12-20-5-7(6-21-12)14(16,17)18/h1-2,4-6,8-9H,3H2/t8-,9-/m0/s1
InChIKeySUYQLOHKLORJLX-IUCAKERBSA-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(1S,2S)-2-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-8-[(1S,2S)-2-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopropyl]imidazo[1,2-b]pyridazine (CID 157032270) is 6-chloro-8-[(1S,2S)-2-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopropyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[(1S,2S)-2-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-[(1S,2S)-2-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopropyl]imidazo[1,2-b]pyridazine is FC(F)(F)c1cnc([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)nc1.
What is the InChIKey of 6-chloro-8-[(1S,2S)-2-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The InChIKey is SUYQLOHKLORJLX-IUCAKERBSA-N. The full InChI is InChI=1S/C14H9ClF3N5/c15-11-4-10(13-19-1-2-23(13)22-11)8-3-9(8)12-20-5-7(6-21-12)14(16,17)18/h1-2,4-6,8-9H,3H2/t8-,9-/m0/s1.
What are the key properties of 6-chloro-8-[(1S,2S)-2-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
6-chloro-8-[(1S,2S)-2-[5-(trifluoromethyl)pyrimidin-2-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-[(1S,2S)-2-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157032270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).