cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride

C108H115ClN26O20S2 — CID 158153829

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-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride

cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride (PubChem CID 158153829) has the molecular formula C108H115ClN26O20S2 and a molecular weight of 2196.86 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;cyclohexyl 7-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride
• PubChem CID: 158153829
• Molecular Formula: C108H115ClN26O20S2
• Molecular Weight: 2196.86 g/mol
• Exact Mass: 2194.79
• IUPAC Name: cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride
• SMILES: CC(=O)Nc1cn2nc(-c3cnc4c(c3)N(C(=O)OC3CCCCC3)CCO4)ccc2n1.CC(=O)Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCO4)cc2s1.Cl.Nc1cn2nc(-c3cnc4c(c3)N(C(=O)OC3CCCCC3)CCO4)ccc2n1.Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCO4)cc2s1.O=C(Nc1cn2nc(-c3cnc4c(c3)N(C(=O)OC3CCCCC3)CCO4)ccc2n1)C1CC1
• InChI: InChI=1S/C24H26N6O4.C22H24N6O4.C22H22N4O5S.C20H22N6O3.C20H20N4O4S.ClH/c31-22(15-6-7-15)27-20-14-30-21(26-20)9-8-18(28-30)16-12-19-23(25-13-16)33-11-10-29(19)24(32)34-17-4-2-1-3-5-17;1-14(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;1-13(27)24-21-25-17-3-2-14(11-19(17)32-21)15-10-18-20(23-12-15)30-9-6-26(18)22(28)31-16-4-7-29-8-5-16;21-17-12-26-18(23-17)7-6-15(24-26)13-10-16-19(22-11-13)28-9-8-25(16)20(27)29-14-4-2-1-3-5-14;21-19-23-15-2-1-12(10-17(15)29-19)13-9-16-18(22-11-13)27-8-5-24(16)20(25)28-14-3-6-26-7-4-14;/h8-9,12-15,17H,1-7,10-11H2,(H,27,31);7-8,11-13,16H,2-6,9-10H2,1H3,(H,24,29);2-3,10-12,16H,4-9H2,1H3,(H,24,25,27);6-7,10-12,14H,1-5,8-9,21H2;1-2,9-11,14H,3-8H2,(H2,21,23);1H
• InChIKey: HPYKGEPZGRGHSE-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 532.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 14
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2196.86
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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;cyclohexyl 7-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride?

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;cyclohexyl 7-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride (CID 158153829) is cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride.

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;cyclohexyl 7-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride?

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;cyclohexyl 7-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride is CC(=O)Nc1cn2nc(-c3cnc4c(c3)N(C(=O)OC3CCCCC3)CCO4)ccc2n1.CC(=O)Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCO4)cc2s1.Cl.Nc1cn2nc(-c3cnc4c(c3)N(C(=O)OC3CCCCC3)CCO4)ccc2n1.Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCO4)cc2s1.O=C(Nc1cn2nc(-c3cnc4c(c3)N(C(=O)OC3CCCCC3)CCO4)ccc2n1)C1CC1.

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;cyclohexyl 7-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride?

The InChIKey is HPYKGEPZGRGHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4.C22H24N6O4.C22H22N4O5S.C20H22N6O3.C20H20N4O4S.ClH/c31-22(15-6-7-15)27-20-14-30-21(26-20)9-8-18(28-30)16-12-19-23(25-13-16)33-11-10-29(19)24(32)34-17-4-2-1-3-5-17;1-14(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;1-13(27)24-21-25-17-3-2-14(11-19(17)32-21)15-10-18-20(23-12-15)30-9-6-26(18)22(28)31-16-4-7-29-8-5-16;21-17-12-26-18(23-17)7-6-15(24-26)13-10-16-19(22-11-13)28-9-8-25(16)20(27)29-14-4-2-1-3-5-14;21-19-23-15-2-1-12(10-17(15)29-19)13-9-16-18(22-11-13)27-8-5-24(16)20(25)28-14-3-6-26-7-4-14;/h8-9,12-15,17H,1-7,10-11H2,(H,27,31);7-8,11-13,16H,2-6,9-10H2,1H3,(H,24,29);2-3,10-12,16H,4-9H2,1H3,(H,24,25,27);6-7,10-12,14H,1-5,8-9,21H2;1-2,9-11,14H,3-8H2,(H2,21,23);1H.

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-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride?

cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride has a molecular weight of 2196.86 g/mol, XLogP of 17.98, 14 rotatable bonds, 5 hydrogen bond donors, and 40 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;cyclohexyl 7-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 158153829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).