oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride

C113H118ClN27O20S2 — CID 161284916

About oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride

oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride (PubChem CID 161284916) has the molecular formula C113H118ClN27O20S2 and a molecular weight of 2273.94 g/mol. Its IUPAC name is oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride
• PubChem CID: 161284916
• Molecular Formula: C113H118ClN27O20S2
• Molecular Weight: 2273.94 g/mol
• Exact Mass: 2271.82
• IUPAC Name: oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride
• SMILES: CC(=O)Nc1cn2nc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CC4)ccc2n1.CNC(=O)Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CC4)cc2s1.Cl.O=C(Nc1cn2cc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CC4)ccc2n1)C1CC1.O=C(Nc1cn2nc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CC4)ccc2n1)C1CC1.O=C(Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CC4)nc2s1)C1CC1
• InChI: InChI=1S/C24H25N5O4.C23H24N6O4.C23H23N5O4S.C22H23N5O4S.C21H22N6O4.ClH/c30-23(15-1-2-15)27-21-14-28-13-16(3-4-22(28)26-21)17-11-20-19(25-12-17)5-8-29(20)24(31)33-18-6-9-32-10-7-18;30-22(14-1-2-14)26-20-13-29-21(25-20)4-3-17(27-29)15-11-19-18(24-12-15)5-8-28(19)23(31)33-16-6-9-32-10-7-16;29-20(13-1-2-13)27-22-26-18-4-3-16(25-21(18)33-22)14-11-19-17(24-12-14)5-8-28(19)23(30)32-15-6-9-31-10-7-15;1-23-20(28)26-21-25-17-3-2-13(11-19(17)32-21)14-10-18-16(24-12-14)4-7-27(18)22(29)31-15-5-8-30-9-6-15;1-13(28)23-19-12-27-20(24-19)3-2-16(25-27)14-10-18-17(22-11-14)4-7-26(18)21(29)31-15-5-8-30-9-6-15;/h3-4,11-15,18H,1-2,5-10H2,(H,27,30);3-4,11-14,16H,1-2,5-10H2,(H,26,30);3-4,11-13,15H,1-2,5-10H2,(H,26,27,29);2-3,10-12,15H,4-9H2,1H3,(H2,23,25,26,28);2-3,10-12,15H,4-9H2,1H3,(H,23,28);1H
• InChIKey: JUVBTSVOLYFKBB-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 532.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 18
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2273.94
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride?

The IUPAC name of oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride (CID 161284916) is oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride.

What is the SMILES notation for oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride?

The canonical SMILES for oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride is CC(=O)Nc1cn2nc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CC4)ccc2n1.CNC(=O)Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CC4)cc2s1.Cl.O=C(Nc1cn2cc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CC4)ccc2n1)C1CC1.O=C(Nc1cn2nc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CC4)ccc2n1)C1CC1.O=C(Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CC4)nc2s1)C1CC1.

What is the InChIKey of oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride?

The InChIKey is JUVBTSVOLYFKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4.C23H24N6O4.C23H23N5O4S.C22H23N5O4S.C21H22N6O4.ClH/c30-23(15-1-2-15)27-21-14-28-13-16(3-4-22(28)26-21)17-11-20-19(25-12-17)5-8-29(20)24(31)33-18-6-9-32-10-7-18;30-22(14-1-2-14)26-20-13-29-21(25-20)4-3-17(27-29)15-11-19-18(24-12-15)5-8-28(19)23(31)33-16-6-9-32-10-7-16;29-20(13-1-2-13)27-22-26-18-4-3-16(25-21(18)33-22)14-11-19-17(24-12-14)5-8-28(19)23(30)32-15-6-9-31-10-7-15;1-23-20(28)26-21-25-17-3-2-13(11-19(17)32-21)14-10-18-16(24-12-14)4-7-27(18)22(29)31-15-5-8-30-9-6-15;1-13(28)23-19-12-27-20(24-19)3-2-16(25-27)14-10-18-17(22-11-14)4-7-26(18)21(29)31-15-5-8-30-9-6-15;/h3-4,11-15,18H,1-2,5-10H2,(H,27,30);3-4,11-14,16H,1-2,5-10H2,(H,26,30);3-4,11-13,15H,1-2,5-10H2,(H,26,27,29);2-3,10-12,15H,4-9H2,1H3,(H2,23,25,26,28);2-3,10-12,15H,4-9H2,1H3,(H,23,28);1H.

What are the key properties of oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride?

oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride has a molecular weight of 2273.94 g/mol, XLogP of 16.66, 18 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for oxan-4-yl 6-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride is sourced from PubChem (CID 161284916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).