13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium

C59H68F2N9O6Y- — CID 178161594

About 13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium

13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium (PubChem CID 178161594) has the molecular formula C59H68F2N9O6Y- and a molecular weight of 1126.15 g/mol. Its IUPAC name is 13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium.

Molecular Properties

• Compound Name: 13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium
• PubChem CID: 178161594
• Molecular Formula: C59H68F2N9O6Y-
• Molecular Weight: 1126.15 g/mol
• Exact Mass: 1125.43
• IUPAC Name: 13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium
• SMILES: C#Cc1c(F)ccc2cccc(-c3nc4c5c(nc(OCC67CCCN6CCC7)nc5c3F)N3CCCOCC3CC4)c12.CO.O=C1CCC(N2Cc3cc(N4CCC(CC5CC[N-]CC5)CC4)ccc3C2=O)C(=O)N1.[Y]
• InChI: InChI=1S/C34H33F2N5O2.C24H31N4O3.CH4O.Y/c1-2-23-25(35)11-9-21-7-3-8-24(27(21)23)30-29(36)31-28-26(37-30)12-10-22-19-42-18-6-17-41(22)32(28)39-33(38-31)43-20-34-13-4-15-40(34)16-5-14-34;29-22-4-3-21(23(30)26-22)28-15-18-14-19(1-2-20(18)24(28)31)27-11-7-17(8-12-27)13-16-5-9-25-10-6-16;1-2;/h1,3,7-9,11,22H,4-6,10,12-20H2;1-2,14,16-17,21H,3-13,15H2,(H,26,29,30);2H,1H3;/q;-1
• InChIKey: NUYOSHRNXGBEMS-UHFFFAOYSA-N
• XLogP: 8.10
• TPSA: 167.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1126.15
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium?

The IUPAC name of 13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium (CID 178161594) is 13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium.

What is the SMILES notation for 13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium?

The canonical SMILES for 13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium is C#Cc1c(F)ccc2cccc(-c3nc4c5c(nc(OCC67CCCN6CCC7)nc5c3F)N3CCCOCC3CC4)c12.CO.O=C1CCC(N2Cc3cc(N4CCC(CC5CC[N-]CC5)CC4)ccc3C2=O)C(=O)N1.[Y].

What is the InChIKey of 13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium?

The InChIKey is NUYOSHRNXGBEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F2N5O2.C24H31N4O3.CH4O.Y/c1-2-23-25(35)11-9-21-7-3-8-24(27(21)23)30-29(36)31-28-26(37-30)12-10-22-19-42-18-6-17-41(22)32(28)39-33(38-31)43-20-34-13-4-15-40(34)16-5-14-34;29-22-4-3-21(23(30)26-22)28-15-18-14-19(1-2-20(18)24(28)31)27-11-7-17(8-12-27)13-16-5-9-25-10-6-16;1-2;/h1,3,7-9,11,22H,4-6,10,12-20H2;1-2,14,16-17,21H,3-13,15H2,(H,26,29,30);2H,1H3;/q;-1;;.

What are the key properties of 13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium?

13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium has a molecular weight of 1126.15 g/mol, XLogP of 8.10, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 13-(8-ethynyl-7-fluoronaphthalen-1-yl)-14-fluoro-17-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11(19),12,14,16-pentaene;methanol;3-[3-oxo-6-[4-(piperidin-1-id-4-ylmethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;yttrium is sourced from PubChem (CID 178161594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).