8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine

C20H22N4O2 — CID 135207494

IUPAC8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2c(C)nc3c(N4CC=CC4)cc(C)nn23)cc1OC
InChIInChI=1S/C20H22N4O2/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/h5-8,11-12H,9-10H2,1-4H3
InChIKeyNALDYFWJCVHXKQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.41
Rot. Bonds4

About 8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine

8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine (PubChem CID 135207494) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine
PubChem CID135207494
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2c(C)nc3c(N4CC=CC4)cc(C)nn23)cc1OC
InChIInChI=1S/C20H22N4O2/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/h5-8,11-12H,9-10H2,1-4H3
InChIKeyNALDYFWJCVHXKQ-UHFFFAOYSA-N
XLogP3.41
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine?
The IUPAC name of 8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine (CID 135207494) is 8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine?
The canonical SMILES for 8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine is COc1ccc(-c2c(C)nc3c(N4CC=CC4)cc(C)nn23)cc1OC.
What is the InChIKey of 8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine?
The InChIKey is NALDYFWJCVHXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/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/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine?
8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine has a molecular weight of 350.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dihydropyrrol-1-yl)-3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 135207494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).