8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine

C52H52Cl4N10O5 — CID 163970428

About 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine

8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine (PubChem CID 163970428) has the molecular formula C52H52Cl4N10O5 and a molecular weight of 1038.86 g/mol. Its IUPAC name is 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine.

Molecular Properties

• Compound Name: 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine
• PubChem CID: 163970428
• Molecular Formula: C52H52Cl4N10O5
• Molecular Weight: 1038.86 g/mol
• Exact Mass: 1036.29
• IUPAC Name: 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine
• SMILES: Cc1nc2c(C(C)(C)C)c(C(=O)NN3CCOc4ccccc43)cnn2c1-c1cc(Cl)cc(Cl)c1.Cc1nc2c(C(C)(C)C)c(C(=O)O)cnn2c1-c1cc(Cl)cc(Cl)c1.NN1CCOc2ccccc21
• InChI: InChI=1S/C26H25Cl2N5O2.C18H17Cl2N3O2.C8H10N2O/c1-15-23(16-11-17(27)13-18(28)12-16)33-24(30-15)22(26(2,3)4)19(14-29-33)25(34)31-32-9-10-35-21-8-6-5-7-20(21)32;1-9-15(10-5-11(19)7-12(20)6-10)23-16(22-9)14(18(2,3)4)13(8-21-23)17(24)25;9-10-5-6-11-8-4-2-1-3-7(8)10/h5-8,11-14H,9-10H2,1-4H3,(H,31,34);5-8H,1-4H3,(H,24,25);1-4H,5-6,9H2
• InChIKey: SPNJQUXMZCWTPT-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 177.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1038.86
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine?

The IUPAC name of 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine (CID 163970428) is 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine.

What is the SMILES notation for 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine?

The canonical SMILES for 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine is Cc1nc2c(C(C)(C)C)c(C(=O)NN3CCOc4ccccc43)cnn2c1-c1cc(Cl)cc(Cl)c1.Cc1nc2c(C(C)(C)C)c(C(=O)O)cnn2c1-c1cc(Cl)cc(Cl)c1.NN1CCOc2ccccc21.

What is the InChIKey of 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine?

The InChIKey is SPNJQUXMZCWTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O2.C18H17Cl2N3O2.C8H10N2O/c1-15-23(16-11-17(27)13-18(28)12-16)33-24(30-15)22(26(2,3)4)19(14-29-33)25(34)31-32-9-10-35-21-8-6-5-7-20(21)32;1-9-15(10-5-11(19)7-12(20)6-10)23-16(22-9)14(18(2,3)4)13(8-21-23)17(24)25;9-10-5-6-11-8-4-2-1-3-7(8)10/h5-8,11-14H,9-10H2,1-4H3,(H,31,34);5-8H,1-4H3,(H,24,25);1-4H,5-6,9H2.

What are the key properties of 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine?

8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine has a molecular weight of 1038.86 g/mol, XLogP of 11.62, 5 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;2,3-dihydro-1,4-benzoxazin-4-amine is sourced from PubChem (CID 163970428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).