7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine

C21H17ClF3N5O2 — CID 126484221

IUPAC7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine
SMILESCCOc1cc(Cc2cnc3cc(Cl)cnn23)cnc1OCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H17ClF3N5O2/c1-2-31-17-6-14(5-16-11-27-19-7-15(22)10-29-30(16)19)9-28-20(17)32-12-13-3-4-18(26-8-13)21(23,24)25/h3-4,6-11H,2,5,12H2,1H3
InChIKeyZJJDWYQEALWUJY-UHFFFAOYSA-N
MW463.85 g/mol
LogP4.76
Rot. Bonds7

About 7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine

7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine (PubChem CID 126484221) has the molecular formula C21H17ClF3N5O2 and a molecular weight of 463.85 g/mol. Its IUPAC name is 7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine
PubChem CID126484221
Molecular FormulaC21H17ClF3N5O2
Molecular Weight463.85 g/mol
Exact Mass463.10
IUPAC Name7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine
SMILESCCOc1cc(Cc2cnc3cc(Cl)cnn23)cnc1OCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H17ClF3N5O2/c1-2-31-17-6-14(5-16-11-27-19-7-15(22)10-29-30(16)19)9-28-20(17)32-12-13-3-4-18(26-8-13)21(23,24)25/h3-4,6-11H,2,5,12H2,1H3
InChIKeyZJJDWYQEALWUJY-UHFFFAOYSA-N
XLogP4.76
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.85
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine (CID 126484221) is 7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine is CCOc1cc(Cc2cnc3cc(Cl)cnn23)cnc1OCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine?
The InChIKey is ZJJDWYQEALWUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5O2/c1-2-31-17-6-14(5-16-11-27-19-7-15(22)10-29-30(16)19)9-28-20(17)32-12-13-3-4-18(26-8-13)21(23,24)25/h3-4,6-11H,2,5,12H2,1H3.
What are the key properties of 7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine?
7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine has a molecular weight of 463.85 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[[5-ethoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 126484221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).