3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid

C17H15Cl2N3O2 — CID 162494396

IUPAC3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid
SMILESCc1nc2c(C(C)C)c(C(=O)O)cnn2c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H15Cl2N3O2/c1-8(2)14-13(17(23)24)7-20-22-15(9(3)21-16(14)22)10-4-11(18)6-12(19)5-10/h4-8H,1-3H3,(H,23,24)
InChIKeyWUSZEYMFAPHHIO-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.83
Rot. Bonds3

About 3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid

3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid (PubChem CID 162494396) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid
PubChem CID162494396
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid
SMILESCc1nc2c(C(C)C)c(C(=O)O)cnn2c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H15Cl2N3O2/c1-8(2)14-13(17(23)24)7-20-22-15(9(3)21-16(14)22)10-4-11(18)6-12(19)5-10/h4-8H,1-3H3,(H,23,24)
InChIKeyWUSZEYMFAPHHIO-UHFFFAOYSA-N
XLogP4.83
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid?
The IUPAC name of 3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid (CID 162494396) is 3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid?
The canonical SMILES for 3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid is Cc1nc2c(C(C)C)c(C(=O)O)cnn2c1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid?
The InChIKey is WUSZEYMFAPHHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-8(2)14-13(17(23)24)7-20-22-15(9(3)21-16(14)22)10-4-11(18)6-12(19)5-10/h4-8H,1-3H3,(H,23,24).
What are the key properties of 3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid?
3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid has a molecular weight of 364.23 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid is sourced from PubChem (CID 162494396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).