3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid

C19H22N4O4 — CID 44526845

IUPAC3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid
SMILESCOc1ccc(-c2cnc3ccc(N4CCCC4)nn23)cc1OC.O=CO
InChIInChI=1S/C18H20N4O2.CH2O2/c1-23-15-6-5-13(11-16(15)24-2)14-12-19-17-7-8-18(20-22(14)17)21-9-3-4-10-21;2-1-3/h5-8,11-12H,3-4,9-10H2,1-2H3;1H,(H,2,3)
InChIKeyKXUADPNRLLODAT-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.71
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid

3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid (PubChem CID 44526845) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid
PubChem CID44526845
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid
SMILESCOc1ccc(-c2cnc3ccc(N4CCCC4)nn23)cc1OC.O=CO
InChIInChI=1S/C18H20N4O2.CH2O2/c1-23-15-6-5-13(11-16(15)24-2)14-12-19-17-7-8-18(20-22(14)17)21-9-3-4-10-21;2-1-3/h5-8,11-12H,3-4,9-10H2,1-2H3;1H,(H,2,3)
InChIKeyKXUADPNRLLODAT-UHFFFAOYSA-N
XLogP2.71
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid (CID 44526845) is 3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid is COc1ccc(-c2cnc3ccc(N4CCCC4)nn23)cc1OC.O=CO.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid?
The InChIKey is KXUADPNRLLODAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2.CH2O2/c1-23-15-6-5-13(11-16(15)24-2)14-12-19-17-7-8-18(20-22(14)17)21-9-3-4-10-21;2-1-3/h5-8,11-12H,3-4,9-10H2,1-2H3;1H,(H,2,3).
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid?
3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid has a molecular weight of 370.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;formic acid is sourced from PubChem (CID 44526845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).