3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine

C20H24N4O2 — CID 135217234

IUPAC3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2c(C)nc3c(N4CCCC4)cc(C)nn23)cc1OC
InChIInChI=1S/C20H24N4O2/c1-13-11-16(23-9-5-6-10-23)20-21-14(2)19(24(20)22-13)15-7-8-17(25-3)18(12-15)26-4/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyLPCBXQPNRDCSKH-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.63
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine

3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine (PubChem CID 135217234) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine
PubChem CID135217234
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2c(C)nc3c(N4CCCC4)cc(C)nn23)cc1OC
InChIInChI=1S/C20H24N4O2/c1-13-11-16(23-9-5-6-10-23)20-21-14(2)19(24(20)22-13)15-7-8-17(25-3)18(12-15)26-4/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyLPCBXQPNRDCSKH-UHFFFAOYSA-N
XLogP3.63
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.63
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)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine (CID 135217234) is 3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine is COc1ccc(-c2c(C)nc3c(N4CCCC4)cc(C)nn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine?
The InChIKey is LPCBXQPNRDCSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-11-16(23-9-5-6-10-23)20-21-14(2)19(24(20)22-13)15-7-8-17(25-3)18(12-15)26-4/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine?
3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine has a molecular weight of 352.44 g/mol, XLogP of 3.63, 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)-2,6-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 135217234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).