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

C20H22F2N4O2 — CID 135217183

IUPAC8-(3,3-difluoropyrrolidin-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2c(C)nc3c(N4CCC(F)(F)C4)cc(C)nn23)cc1OC
InChIInChI=1S/C20H22F2N4O2/c1-12-9-15(25-8-7-20(21,22)11-25)19-23-13(2)18(26(19)24-12)14-5-6-16(27-3)17(10-14)28-4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyJVIGPXPJDNAOQG-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.88
Rot. Bonds4

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

8-(3,3-difluoropyrrolidin-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine (PubChem CID 135217183) has the molecular formula C20H22F2N4O2 and a molecular weight of 388.42 g/mol. Its IUPAC name is 8-(3,3-difluoropyrrolidin-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-(3,3-difluoropyrrolidin-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine
PubChem CID135217183
Molecular FormulaC20H22F2N4O2
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name8-(3,3-difluoropyrrolidin-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2c(C)nc3c(N4CCC(F)(F)C4)cc(C)nn23)cc1OC
InChIInChI=1S/C20H22F2N4O2/c1-12-9-15(25-8-7-20(21,22)11-25)19-23-13(2)18(26(19)24-12)14-5-6-16(27-3)17(10-14)28-4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyJVIGPXPJDNAOQG-UHFFFAOYSA-N
XLogP3.88
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3,3-difluoropyrrolidin-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine?
The IUPAC name of 8-(3,3-difluoropyrrolidin-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine (CID 135217183) is 8-(3,3-difluoropyrrolidin-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-(3,3-difluoropyrrolidin-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine?
The canonical SMILES for 8-(3,3-difluoropyrrolidin-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine is COc1ccc(-c2c(C)nc3c(N4CCC(F)(F)C4)cc(C)nn23)cc1OC.
What is the InChIKey of 8-(3,3-difluoropyrrolidin-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine?
The InChIKey is JVIGPXPJDNAOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O2/c1-12-9-15(25-8-7-20(21,22)11-25)19-23-13(2)18(26(19)24-12)14-5-6-16(27-3)17(10-14)28-4/h5-6,9-10H,7-8,11H2,1-4H3.
What are the key properties of 8-(3,3-difluoropyrrolidin-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine?
8-(3,3-difluoropyrrolidin-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine has a molecular weight of 388.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-difluoropyrrolidin-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 135217183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).