3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine

C20H23FN4O2 — CID 135217230

IUPAC3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2c(C)nc3c(N4CC[C@@H](F)C4)cc(C)nn23)cc1OC
InChIInChI=1S/C20H23FN4O2/c1-12-9-16(24-8-7-15(21)11-24)20-22-13(2)19(25(20)23-12)14-5-6-17(26-3)18(10-14)27-4/h5-6,9-10,15H,7-8,11H2,1-4H3/t15-/m1/s1
InChIKeyWHZPDSQCZWMBJQ-OAHLLOKOSA-N
MW370.43 g/mol
LogP3.58
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine

3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine (PubChem CID 135217230) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine
PubChem CID135217230
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2c(C)nc3c(N4CC[C@@H](F)C4)cc(C)nn23)cc1OC
InChIInChI=1S/C20H23FN4O2/c1-12-9-16(24-8-7-15(21)11-24)20-22-13(2)19(25(20)23-12)14-5-6-17(26-3)18(10-14)27-4/h5-6,9-10,15H,7-8,11H2,1-4H3/t15-/m1/s1
InChIKeyWHZPDSQCZWMBJQ-OAHLLOKOSA-N
XLogP3.58
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine (CID 135217230) is 3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine is COc1ccc(-c2c(C)nc3c(N4CC[C@@H](F)C4)cc(C)nn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine?
The InChIKey is WHZPDSQCZWMBJQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-12-9-16(24-8-7-15(21)11-24)20-22-13(2)19(25(20)23-12)14-5-6-17(26-3)18(10-14)27-4/h5-6,9-10,15H,7-8,11H2,1-4H3/t15-/m1/s1.
What are the key properties of 3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine?
3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine has a molecular weight of 370.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-8-[(3R)-3-fluoropyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 135217230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).