bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate

C110H121N19O16 — CID 160856776

About bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate

bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate (PubChem CID 160856776) has the molecular formula C110H121N19O16 and a molecular weight of 1965.29 g/mol. Its IUPAC name is bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate.

Molecular Properties

• Compound Name: bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate
• PubChem CID: 160856776
• Molecular Formula: C110H121N19O16
• Molecular Weight: 1965.29 g/mol
• Exact Mass: 1963.92
• IUPAC Name: bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate
• SMILES: COC1=Nn2cc(-c3cc4c(OCC5CCCN(c6ccc(C)cn6)C5)cc(OC)cc4o3)nc2C1.COC1=Nn2cc(-c3cc4c(OCC5CCCN(c6ccc(C)cn6)C5)cc(OC)cc4o3)nc2C1.[H]/N=C(/Cc1ncc(-c2cc3c(OCC4CCC(=C)N(c5ccc(C)cc5)C4)cc(OC)cc3o2)[nH]1)OC.[H]/N=C(/Cc1ncc(-c2cc3c(OCC4CCCN(c5ccc(C)cn5)C4)cc(OC)cc3o2)[nH]1)OC
• InChI: InChI=1S/C29H32N4O4.2C27H29N5O4.C27H31N5O4/c1-18-5-9-21(10-6-18)33-16-20(8-7-19(33)2)17-36-25-11-22(34-3)12-26-23(25)13-27(37-26)24-15-31-29(32-24)14-28(30)35-4;2*1-17-6-7-25(28-13-17)31-8-4-5-18(14-31)16-35-22-9-19(33-2)10-23-20(22)11-24(36-23)21-15-32-26(29-21)12-27(30-32)34-3;1-17-6-7-27(30-13-17)32-8-4-5-18(15-32)16-35-22-9-19(33-2)10-23-20(22)11-24(36-23)21-14-29-26(31-21)12-25(28)34-3/h5-6,9-13,15,20,30H,2,7-8,14,16-17H2,1,3-4H3,(H,31,32);2*6-7,9-11,13,15,18H,4-5,8,12,14,16H2,1-3H3;6-7,9-11,13-14,18,28H,4-5,8,12,15-16H2,1-3H3,(H,29,31)/b30-28-;;;28-25-
• InChIKey: SJYOGCULXBRYGQ-ZQMPRZQGSA-N
• XLogP: 20.45
• TPSA: 380.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1965.29
LogP ≤ 5	20.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate?

The IUPAC name of bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate (CID 160856776) is bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate.

What is the SMILES notation for bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate?

The canonical SMILES for bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate is COC1=Nn2cc(-c3cc4c(OCC5CCCN(c6ccc(C)cn6)C5)cc(OC)cc4o3)nc2C1.COC1=Nn2cc(-c3cc4c(OCC5CCCN(c6ccc(C)cn6)C5)cc(OC)cc4o3)nc2C1.[H]/N=C(/Cc1ncc(-c2cc3c(OCC4CCC(=C)N(c5ccc(C)cc5)C4)cc(OC)cc3o2)[nH]1)OC.[H]/N=C(/Cc1ncc(-c2cc3c(OCC4CCCN(c5ccc(C)cn5)C4)cc(OC)cc3o2)[nH]1)OC.

What is the InChIKey of bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate?

The InChIKey is SJYOGCULXBRYGQ-ZQMPRZQGSA-N. The full InChI is InChI=1S/C29H32N4O4.2C27H29N5O4.C27H31N5O4/c1-18-5-9-21(10-6-18)33-16-20(8-7-19(33)2)17-36-25-11-22(34-3)12-26-23(25)13-27(37-26)24-15-31-29(32-24)14-28(30)35-4;2*1-17-6-7-25(28-13-17)31-8-4-5-18(14-31)16-35-22-9-19(33-2)10-23-20(22)11-24(36-23)21-15-32-26(29-21)12-27(30-32)34-3;1-17-6-7-27(30-13-17)32-8-4-5-18(15-32)16-35-22-9-19(33-2)10-23-20(22)11-24(36-23)21-14-29-26(31-21)12-25(28)34-3/h5-6,9-13,15,20,30H,2,7-8,14,16-17H2,1,3-4H3,(H,31,32);2*6-7,9-11,13,15,18H,4-5,8,12,14,16H2,1-3H3;6-7,9-11,13-14,18,28H,4-5,8,12,15-16H2,1-3H3,(H,29,31)/b30-28-;;;28-25-.

What are the key properties of bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate?

bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate has a molecular weight of 1965.29 g/mol, XLogP of 20.45, 28 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate is sourced from PubChem (CID 160856776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).