4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane

C63H81F2N11O7 — CID 178161160

About 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane

4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane (PubChem CID 178161160) has the molecular formula C63H81F2N11O7 and a molecular weight of 1142.41 g/mol. Its IUPAC name is 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane.

Molecular Properties

• Compound Name: 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane
• PubChem CID: 178161160
• Molecular Formula: C63H81F2N11O7
• Molecular Weight: 1142.41 g/mol
• Exact Mass: 1141.63
• IUPAC Name: 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane
• SMILES: CC.CCc1c(F)ccc2cc(O)cc(-c3nc4c5c(nc(OCC67CCCN6CCC7)nc5c3F)N3CCCOCC3C=C4C)c12.COC.Cn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCC(CC4CCN(C=O)CC4)CC3)nc21
• InChI: InChI=1S/C35H37F2N5O3.C24H32N6O3.C2H6O.C2H6/c1-3-24-26(36)8-7-21-16-23(43)17-25(27(21)24)31-29(37)32-28-30(38-31)20(2)15-22-18-44-14-6-13-42(22)33(28)40-34(39-32)45-19-35-9-4-11-41(35)12-5-10-35;1-28-23-18(22(27-28)19-3-5-21(32)26-24(19)33)2-4-20(25-23)30-12-8-17(9-13-30)14-16-6-10-29(15-31)11-7-16;1-3-2;1-2/h7-8,15-17,22,43H,3-6,9-14,18-19H2,1-2H3;2,4,15-17,19H,3,5-14H2,1H3,(H,26,32,33);1-2H3;1-2H3
• InChIKey: JSHTXENKHRQIKE-UHFFFAOYSA-N
• XLogP: 9.66
• TPSA: 193.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1142.41
LogP ≤ 5	9.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane?

The IUPAC name of 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane (CID 178161160) is 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane.

What is the SMILES notation for 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane?

The canonical SMILES for 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane is CC.CCc1c(F)ccc2cc(O)cc(-c3nc4c5c(nc(OCC67CCCN6CCC7)nc5c3F)N3CCCOCC3C=C4C)c12.COC.Cn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCC(CC4CCN(C=O)CC4)CC3)nc21.

What is the InChIKey of 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane?

The InChIKey is JSHTXENKHRQIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37F2N5O3.C24H32N6O3.C2H6O.C2H6/c1-3-24-26(36)8-7-21-16-23(43)17-25(27(21)24)31-29(37)32-28-30(38-31)20(2)15-22-18-44-14-6-13-42(22)33(28)40-34(39-32)45-19-35-9-4-11-41(35)12-5-10-35;1-28-23-18(22(27-28)19-3-5-21(32)26-24(19)33)2-4-20(25-23)30-12-8-17(9-13-30)14-16-6-10-29(15-31)11-7-16;1-3-2;1-2/h7-8,15-17,22,43H,3-6,9-14,18-19H2,1-2H3;2,4,15-17,19H,3,5-14H2,1H3,(H,26,32,33);1-2H3;1-2H3.

What are the key properties of 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane?

4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane has a molecular weight of 1142.41 g/mol, XLogP of 9.66, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;ethane;5-ethyl-6-fluoro-4-[14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-10-methyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),9,11,13,15(19),16-hexaen-13-yl]naphthalen-2-ol;methoxymethane is sourced from PubChem (CID 178161160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).