dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate

C157H139F25K2N4O42S3 — CID 162234737

About dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate

dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate (PubChem CID 162234737) has the molecular formula C157H139F25K2N4O42S3 and a molecular weight of 3403.17 g/mol. Its IUPAC name is dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate.

Molecular Properties

• Compound Name: dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate
• PubChem CID: 162234737
• Molecular Formula: C157H139F25K2N4O42S3
• Molecular Weight: 3403.17 g/mol
• Exact Mass: 3400.69
• IUPAC Name: dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate
• SMILES: C.C.C.C.C.C.C.CC(=O)Oc1c(F)cc2c(c1F)Oc1c(cc(F)c(C)c1F)C21OC(=O)c2ccccc21.CO.COC=O.COC=O.Cc1c(F)cc2c(c1F)Oc1c(cc(F)c(OS(=O)(=O)C(F)(F)F)c1F)C21OC(=O)c2ccccc21.Cc1ccc2cc(C(=O)NC3CCC(CC(=O)c4ccc5c(c4)C(=O)OC54c5cc(F)c(C)c(F)c5Oc5c4cc(F)c(OS(=O)(=O)C(F)(F)F)c5F)CC3)c(=O)oc2c1.Cc1ccc2cc(C(=O)NC3CCC(CC(=O)c4ccc5c(c4)C4(OC5=O)c5cc(F)c(C)c(F)c5Oc5c4cc(F)c(OS(=O)(=O)C(F)(F)F)c5F)CC3)c(=O)oc2c1.Cc1ccc2cc(C(=O)NC3CCC(N)CC3)c(=O)oc2c1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/2C41H28F7NO10S.C23H12F4O5.C22H9F7O6S.C17H20N2O3.2C2H4O2.CH2O3.CH4O.7CH4.2K.H/c1-17-3-6-21-13-24(38(52)56-31(21)11-17)37(51)49-22-8-4-19(5-9-22)12-30(50)20-7-10-23-25(14-20)40(58-39(23)53)26-15-28(42)18(2)32(44)34(26)57-35-27(40)16-29(43)36(33(35)45)59-60(54,55)41(46,47)48;1-17-3-6-21-14-24(38(52)56-31(21)11-17)37(51)49-22-8-4-19(5-9-22)12-30(50)20-7-10-25-23(13-20)39(53)58-40(25)26-15-28(42)18(2)32(44)34(26)57-35-27(40)16-29(43)36(33(35)45)59-60(54,55)41(46,47)48;1-9-15(24)7-13-19(17(9)26)31-20-14(8-16(25)21(18(20)27)30-10(2)28)23(13)12-6-4-3-5-11(12)22(29)32-23;1-8-13(23)6-11-17(15(8)25)33-18-12(21(11)10-5-3-2-4-9(10)20(30)34-21)7-14(24)19(16(18)26)35-36(31,32)22(27,28)29;1-10-2-3-11-9-14(17(21)22-15(11)8-10)16(20)19-13-6-4-12(18)5-7-13;2*1-4-2-3;2-1-4-3;1-2;;;;;;;;;;/h2*3,6-7,10-11,13-16,19,22H,4-5,8-9,12H2,1-2H3,(H,49,51);3-8H,1-2H3;2-7H,1H3;2-3,8-9,12-13H,4-7,18H2,1H3,(H,19,20);2*2H,1H3;1,3H;2H,1H3;7*1H4;;;/q;;;;;;;;;;;;;;;;2*+1;-1/p-1
• InChIKey: QECUSSYYTCOFQA-UHFFFAOYSA-M
• XLogP: 25.34
• TPSA: 658.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 22
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3403.17
LogP ≤ 5	25.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate?

The IUPAC name of dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate (CID 162234737) is dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate.

What is the SMILES notation for dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate?

The canonical SMILES for dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate is C.C.C.C.C.C.C.CC(=O)Oc1c(F)cc2c(c1F)Oc1c(cc(F)c(C)c1F)C21OC(=O)c2ccccc21.CO.COC=O.COC=O.Cc1c(F)cc2c(c1F)Oc1c(cc(F)c(OS(=O)(=O)C(F)(F)F)c1F)C21OC(=O)c2ccccc21.Cc1ccc2cc(C(=O)NC3CCC(CC(=O)c4ccc5c(c4)C(=O)OC54c5cc(F)c(C)c(F)c5Oc5c4cc(F)c(OS(=O)(=O)C(F)(F)F)c5F)CC3)c(=O)oc2c1.Cc1ccc2cc(C(=O)NC3CCC(CC(=O)c4ccc5c(c4)C4(OC5=O)c5cc(F)c(C)c(F)c5Oc5c4cc(F)c(OS(=O)(=O)C(F)(F)F)c5F)CC3)c(=O)oc2c1.Cc1ccc2cc(C(=O)NC3CCC(N)CC3)c(=O)oc2c1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate?

The InChIKey is QECUSSYYTCOFQA-UHFFFAOYSA-M. The full InChI is InChI=1S/2C41H28F7NO10S.C23H12F4O5.C22H9F7O6S.C17H20N2O3.2C2H4O2.CH2O3.CH4O.7CH4.2K.H/c1-17-3-6-21-13-24(38(52)56-31(21)11-17)37(51)49-22-8-4-19(5-9-22)12-30(50)20-7-10-23-25(14-20)40(58-39(23)53)26-15-28(42)18(2)32(44)34(26)57-35-27(40)16-29(43)36(33(35)45)59-60(54,55)41(46,47)48;1-17-3-6-21-14-24(38(52)56-31(21)11-17)37(51)49-22-8-4-19(5-9-22)12-30(50)20-7-10-25-23(13-20)39(53)58-40(25)26-15-28(42)18(2)32(44)34(26)57-35-27(40)16-29(43)36(33(35)45)59-60(54,55)41(46,47)48;1-9-15(24)7-13-19(17(9)26)31-20-14(8-16(25)21(18(20)27)30-10(2)28)23(13)12-6-4-3-5-11(12)22(29)32-23;1-8-13(23)6-11-17(15(8)25)33-18-12(21(11)10-5-3-2-4-9(10)20(30)34-21)7-14(24)19(16(18)26)35-36(31,32)22(27,28)29;1-10-2-3-11-9-14(17(21)22-15(11)8-10)16(20)19-13-6-4-12(18)5-7-13;2*1-4-2-3;2-1-4-3;1-2;;;;;;;;;;/h2*3,6-7,10-11,13-16,19,22H,4-5,8-9,12H2,1-2H3,(H,49,51);3-8H,1-2H3;2-7H,1H3;2-3,8-9,12-13H,4-7,18H2,1H3,(H,19,20);2*2H,1H3;1,3H;2H,1H3;7*1H4;;;/q;;;;;;;;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate?

dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate has a molecular weight of 3403.17 g/mol, XLogP of 25.34, 22 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;N-(4-aminocyclohexyl)-7-methyl-2-oxochromene-3-carboxamide;hydride;methane;methanol;methyl formate;oxido formate;[2',4',5',7'-tetrafluoro-6'-methyl-5-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;[2',4',5',7'-tetrafluoro-6'-methyl-6-[2-[4-[(7-methyl-2-oxochromene-3-carbonyl)amino]cyclohexyl]acetyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;(2',4',5',7'-tetrafluoro-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate is sourced from PubChem (CID 162234737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).