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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane

C60H82FN11O7 — CID 178160971

About 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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane

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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane (PubChem CID 178160971) has the molecular formula C60H82FN11O7 and a molecular weight of 1088.38 g/mol. Its IUPAC name is 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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane.

Molecular Properties

• Compound Name: 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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane
• PubChem CID: 178160971
• Molecular Formula: C60H82FN11O7
• Molecular Weight: 1088.38 g/mol
• Exact Mass: 1087.64
• IUPAC Name: 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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane
• SMILES: CC1CCCc2cc(O)cc(-c3nc4c5c(nc(OCC67CCCN6CCC7)nc5c3F)N3CCCOCC3CC4)c21.CNC(=O)C(CCC=O)c1nn(C)c2nc(N3CCC(CC4CCN(C=O)CC4)CC3)ccc12.COC
• InChI: InChI=1S/C33H40FN5O3.C25H36N6O3.C2H6O/c1-20-6-2-7-21-16-23(40)17-24(26(20)21)29-28(34)30-27-25(35-29)9-8-22-18-41-15-5-14-39(22)31(27)37-32(36-30)42-19-33-10-3-12-38(33)13-4-11-33;1-26-25(34)21(4-3-15-32)23-20-5-6-22(27-24(20)29(2)28-23)31-13-9-19(10-14-31)16-18-7-11-30(17-33)12-8-18;1-3-2/h16-17,20,22,40H,2-15,18-19H2,1H3;5-6,15,17-19,21H,3-4,7-14,16H2,1-2H3,(H,26,34);1-2H3
• InChIKey: BRXLOUAEPATSDN-UHFFFAOYSA-N
• XLogP: 8.04
• TPSA: 193.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1088.38
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane?

The IUPAC name of 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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane (CID 178160971) is 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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane.

What is the SMILES notation for 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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane?

The canonical SMILES for 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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane is CC1CCCc2cc(O)cc(-c3nc4c5c(nc(OCC67CCCN6CCC7)nc5c3F)N3CCCOCC3CC4)c21.CNC(=O)C(CCC=O)c1nn(C)c2nc(N3CCC(CC4CCN(C=O)CC4)CC3)ccc12.COC.

What is the InChIKey of 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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane?

The InChIKey is BRXLOUAEPATSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40FN5O3.C25H36N6O3.C2H6O/c1-20-6-2-7-21-16-23(40)17-24(26(20)21)29-28(34)30-27-25(35-29)9-8-22-18-41-15-5-14-39(22)31(27)37-32(36-30)42-19-33-10-3-12-38(33)13-4-11-33;1-26-25(34)21(4-3-15-32)23-20-5-6-22(27-24(20)29(2)28-23)31-13-9-19(10-14-31)16-18-7-11-30(17-33)12-8-18;1-3-2/h16-17,20,22,40H,2-15,18-19H2,1H3;5-6,15,17-19,21H,3-4,7-14,16H2,1-2H3,(H,26,34);1-2H3.

What are the key properties of 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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane?

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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane has a molecular weight of 1088.38 g/mol, XLogP of 8.04, 13 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol;2-[6-[4-[(1-formylpiperidin-4-yl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridin-3-yl]-N-methyl-5-oxopentanamide;methoxymethane is sourced from PubChem (CID 178160971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).