4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane

C59H79F2N11O7 — CID 178161559

About 4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane

4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane (PubChem CID 178161559) has the molecular formula C59H79F2N11O7 and a molecular weight of 1092.35 g/mol. Its IUPAC name is 4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane.

Molecular Properties

• Compound Name: 4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane
• PubChem CID: 178161559
• Molecular Formula: C59H79F2N11O7
• Molecular Weight: 1092.35 g/mol
• Exact Mass: 1091.61
• IUPAC Name: 4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane
• SMILES: CC1CCCc2cc(O)cc(-c3nc4c5c(nc(OCC67CCCN6CCC7)nc5c3F)N3CCCOCC3CC4)c21.COC.[H]/N=C(/c1cnc(N2CCC(CC3CCN(C=O)CC3)CC2)c(F)c1NC)C1CCC(=O)NC1=O
• InChI: InChI=1S/C33H40FN5O3.C24H33FN6O3.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;1-27-22-18(21(26)17-2-3-19(33)29-24(17)34)13-28-23(20(22)25)31-10-6-16(7-11-31)12-15-4-8-30(14-32)9-5-15;1-3-2/h16-17,20,22,40H,2-15,18-19H2,1H3;13-17,26H,2-12H2,1H3,(H,27,28)(H,29,33,34);1-2H3/b;26-21+
• InChIKey: IGKDHJRCTQANDC-VIZIVPGFSA-N
• XLogP: 7.95
• TPSA: 211.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1092.35
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane?

The IUPAC name of 4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane (CID 178161559) is 4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane.

What is the SMILES notation for 4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane?

The canonical SMILES for 4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane is CC1CCCc2cc(O)cc(-c3nc4c5c(nc(OCC67CCCN6CCC7)nc5c3F)N3CCCOCC3CC4)c21.COC.[H]/N=C(/c1cnc(N2CCC(CC3CCN(C=O)CC3)CC2)c(F)c1NC)C1CCC(=O)NC1=O.

What is the InChIKey of 4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane?

The InChIKey is IGKDHJRCTQANDC-VIZIVPGFSA-N. The full InChI is InChI=1S/C33H40FN5O3.C24H33FN6O3.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;1-27-22-18(21(26)17-2-3-19(33)29-24(17)34)13-28-23(20(22)25)31-10-6-16(7-11-31)12-15-4-8-30(14-32)9-5-15;1-3-2/h16-17,20,22,40H,2-15,18-19H2,1H3;13-17,26H,2-12H2,1H3,(H,27,28)(H,29,33,34);1-2H3/b;26-21+;.

What are the key properties of 4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane?

4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane has a molecular weight of 1092.35 g/mol, XLogP of 7.95, 11 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[5-(2,6-dioxopiperidine-3-carboximidoyl)-3-fluoro-4-(methylamino)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-1-carbaldehyde;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;methoxymethane is sourced from PubChem (CID 178161559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).