cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

C22H24N6O4 — CID 142507997

IUPACcyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
SMILESCC(=O)Nc1cn2nc(-c3cnc4c(c3)N(C(=O)OC3CCCCC3)CCO4)ccc2n1
InChIInChI=1S/C22H24N6O4/c1-14(29)24-19-13-28-20(25-19)8-7-17(26-28)15-11-18-21(23-12-15)31-10-9-27(18)22(30)32-16-5-3-2-4-6-16/h7-8,11-13,16H,2-6,9-10H2,1H3,(H,24,29)
InChIKeyHBJKTKIBOBRFGO-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.42
Rot. Bonds3

About cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate (PubChem CID 142507997) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
PubChem CID142507997
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Namecyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
SMILESCC(=O)Nc1cn2nc(-c3cnc4c(c3)N(C(=O)OC3CCCCC3)CCO4)ccc2n1
InChIInChI=1S/C22H24N6O4/c1-14(29)24-19-13-28-20(25-19)8-7-17(26-28)15-11-18-21(23-12-15)31-10-9-27(18)22(30)32-16-5-3-2-4-6-16/h7-8,11-13,16H,2-6,9-10H2,1H3,(H,24,29)
InChIKeyHBJKTKIBOBRFGO-UHFFFAOYSA-N
XLogP3.42
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The IUPAC name of cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate (CID 142507997) is cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate.
What is the SMILES notation for cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The canonical SMILES for cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate is CC(=O)Nc1cn2nc(-c3cnc4c(c3)N(C(=O)OC3CCCCC3)CCO4)ccc2n1.
What is the InChIKey of cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The InChIKey is HBJKTKIBOBRFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-14(29)24-19-13-28-20(25-19)8-7-17(26-28)15-11-18-21(23-12-15)31-10-9-27(18)22(30)32-16-5-3-2-4-6-16/h7-8,11-13,16H,2-6,9-10H2,1H3,(H,24,29).
What are the key properties of cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate has a molecular weight of 436.47 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate is sourced from PubChem (CID 142507997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).