5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane

C61H74F2N10O8 — CID 178161389

About 5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane

5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane (PubChem CID 178161389) has the molecular formula C61H74F2N10O8 and a molecular weight of 1113.32 g/mol. Its IUPAC name is 5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane.

Molecular Properties

• Compound Name: 5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane
• PubChem CID: 178161389
• Molecular Formula: C61H74F2N10O8
• Molecular Weight: 1113.32 g/mol
• Exact Mass: 1112.57
• IUPAC Name: 5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane
• SMILES: C#Cc1c(F)ccc2cc(O)cc(-c3nc4c5c(nc(OCC67CCCN6CCC7)nc5c3F)N3CCCOCC3CC4)c12.CNC(=O)CCC(C=O)N1Cc2cc(N3CCN(CC4CCN(C=O)CC4)CC3)ccc2C1=O.COC
• InChI: InChI=1S/C34H33F2N5O3.C25H35N5O4.C2H6O/c1-2-23-25(35)8-6-20-16-22(42)17-24(27(20)23)30-29(36)31-28-26(37-30)9-7-21-18-43-15-5-14-41(21)32(28)39-33(38-31)44-19-34-10-3-12-40(34)13-4-11-34;1-26-24(33)5-3-22(17-31)30-16-20-14-21(2-4-23(20)25(30)34)29-12-10-27(11-13-29)15-19-6-8-28(18-32)9-7-19;1-3-2/h1,6,8,16-17,21,42H,3-5,7,9-15,18-19H2;2,4,14,17-19,22H,3,5-13,15-16H2,1H3,(H,26,33);1-2H3
• InChIKey: GKPLSBOOSHFVFX-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 186.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1113.32
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane?

The IUPAC name of 5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane (CID 178161389) is 5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane.

What is the SMILES notation for 5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane?

The canonical SMILES for 5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane is C#Cc1c(F)ccc2cc(O)cc(-c3nc4c5c(nc(OCC67CCCN6CCC7)nc5c3F)N3CCCOCC3CC4)c12.CNC(=O)CCC(C=O)N1Cc2cc(N3CCN(CC4CCN(C=O)CC4)CC3)ccc2C1=O.COC.

What is the InChIKey of 5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane?

The InChIKey is GKPLSBOOSHFVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F2N5O3.C25H35N5O4.C2H6O/c1-2-23-25(35)8-6-20-16-22(42)17-24(27(20)23)30-29(36)31-28-26(37-30)9-7-21-18-43-15-5-14-41(21)32(28)39-33(38-31)44-19-34-10-3-12-40(34)13-4-11-34;1-26-24(33)5-3-22(17-31)30-16-20-14-21(2-4-23(20)25(30)34)29-12-10-27(11-13-29)15-19-6-8-28(18-32)9-7-19;1-3-2/h1,6,8,16-17,21,42H,3-5,7,9-15,18-19H2;2,4,14,17-19,22H,3,5-13,15-16H2,1H3,(H,26,33);1-2H3.

What are the key properties of 5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane?

5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane has a molecular weight of 1113.32 g/mol, XLogP of 6.35, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethynyl-6-fluoro-4-[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-pentaen-13-yl]naphthalen-2-ol;4-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;methoxymethane is sourced from PubChem (CID 178161389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).