[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate

C128H138F4N11O26P — CID 160588601

About [4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate

[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate (PubChem CID 160588601) has the molecular formula C128H138F4N11O26P and a molecular weight of 2353.53 g/mol. Its IUPAC name is [4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

• Compound Name: [4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate
• PubChem CID: 160588601
• Molecular Formula: C128H138F4N11O26P
• Molecular Weight: 2353.53 g/mol
• Exact Mass: 2351.95
• IUPAC Name: [4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate
• SMILES: COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OC(=O)N1CCN(C)CC1.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OC(=O)N1CCN(C2CCN(C)CC2)CC1.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OC(=O)NC1CCN(C)CC1.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OP(=O)(O)O
• InChI: InChI=1S/C37H43FN4O6.C33H36FN3O6.C32H34FN3O6.C26H25FNO8P/c1-24-30(29-8-7-26(38)21-32(29)31(24)22-35(43)39-23-28-6-5-17-47-28)18-25-19-33(45-3)36(34(20-25)46-4)48-37(44)42-15-13-41(14-16-42)27-9-11-40(2)12-10-27;1-20-26(25-8-7-22(34)17-28(25)27(20)18-31(38)35-19-24-6-5-13-42-24)14-21-15-29(40-3)32(30(16-21)41-4)43-33(39)36-23-9-11-37(2)12-10-23;1-20-25(24-8-7-22(33)17-27(24)26(20)18-30(37)34-19-23-6-5-13-41-23)14-21-15-28(39-3)31(29(16-21)40-4)42-32(38)36-11-9-35(2)10-12-36;1-15-20(9-16-10-23(33-2)26(24(11-16)34-3)36-37(30,31)32)19-7-6-17(27)12-22(19)21(15)13-25(29)28-14-18-5-4-8-35-18/h5-8,17-21,27H,9-16,22-23H2,1-4H3,(H,39,43);5-8,13-17,23H,9-12,18-19H2,1-4H3,(H,35,38)(H,36,39);5-8,13-17H,9-12,18-19H2,1-4H3,(H,34,37);4-12H,13-14H2,1-3H3,(H,28,29)(H2,30,31,32)/b30-18-;26-14-;25-14-;20-9-
• InChIKey: RCSHMDDLYUYZSA-BTSUGYHOSA-N
• XLogP: 21.49
• TPSA: 419.93 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 35
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2353.53
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate?

The IUPAC name of [4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate (CID 160588601) is [4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate.

What is the SMILES notation for [4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate?

The canonical SMILES for [4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate is COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OC(=O)N1CCN(C)CC1.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OC(=O)N1CCN(C2CCN(C)CC2)CC1.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OC(=O)NC1CCN(C)CC1.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OP(=O)(O)O.

What is the InChIKey of [4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate?

The InChIKey is RCSHMDDLYUYZSA-BTSUGYHOSA-N. The full InChI is InChI=1S/C37H43FN4O6.C33H36FN3O6.C32H34FN3O6.C26H25FNO8P/c1-24-30(29-8-7-26(38)21-32(29)31(24)22-35(43)39-23-28-6-5-17-47-28)18-25-19-33(45-3)36(34(20-25)46-4)48-37(44)42-15-13-41(14-16-42)27-9-11-40(2)12-10-27;1-20-26(25-8-7-22(34)17-28(25)27(20)18-31(38)35-19-24-6-5-13-42-24)14-21-15-29(40-3)32(30(16-21)41-4)43-33(39)36-23-9-11-37(2)12-10-23;1-20-25(24-8-7-22(33)17-27(24)26(20)18-30(37)34-19-23-6-5-13-41-23)14-21-15-28(39-3)31(29(16-21)40-4)42-32(38)36-11-9-35(2)10-12-36;1-15-20(9-16-10-23(33-2)26(24(11-16)34-3)36-37(30,31)32)19-7-6-17(27)12-22(19)21(15)13-25(29)28-14-18-5-4-8-35-18/h5-8,17-21,27H,9-16,22-23H2,1-4H3,(H,39,43);5-8,13-17,23H,9-12,18-19H2,1-4H3,(H,35,38)(H,36,39);5-8,13-17H,9-12,18-19H2,1-4H3,(H,34,37);4-12H,13-14H2,1-3H3,(H,28,29)(H2,30,31,32)/b30-18-;26-14-;25-14-;20-9-.

What are the key properties of [4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate?

[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate has a molecular weight of 2353.53 g/mol, XLogP of 21.49, 35 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-methylpiperazine-1-carboxylate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-(1-methylpiperidin-4-yl)carbamate;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 160588601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).