potassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium

C113H148BBr3F2K3N14O16P — CID 163981550

IUPACpotassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESCC(C)N1CCC2(CC1)C(=O)N(C)c1cc(B3OC(C)(C)C(C)(C)O3)ccc12.CC(C)N1CCC2(CC1)C(=O)N(C)c1cc(Br)ccc12.CCN(c1cc(-c2ccc3c(c2)N(C)C(=O)C32CCN(C(C)C)CC2)c(F)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(Br)c(F)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CN1C(=O)C2(CCNCC2)c2ccc(Br)cc21.O=[P+]([O-])O[O-].[K+].[K][K]
InChIInChI=1S/C39H50FN5O4.C23H29BrFN3O3.C22H33BN2O3.C16H21BrN2O.C13H15BrN2O.3K.HO4P/c1-8-45(28-11-17-49-18-12-28)32-21-29(35(40)34(26(32)6)37(47)41-22-30-24(4)19-25(5)42-36(30)46)27-9-10-31-33(20-27)43(7)38(48)39(31)13-15-44(16-14-39)23(2)3;1-5-28(16-6-8-31-9-7-16)19-11-18(24)21(25)20(15(19)4)23(30)26-12-17-13(2)10-14(3)27-22(17)29;1-15(2)25-12-10-22(11-13-25)17-9-8-16(14-18(17)24(7)19(22)26)23-27-20(3,4)21(5,6)28-23;1-11(2)19-8-6-16(7-9-19)13-5-4-12(17)10-14(13)18(3)15(16)20;1-16-11-8-9(14)2-3-10(11)13(12(16)17)4-6-15-7-5-13;;;;1-4-5(2)3/h9-10,19-21,23,28H,8,11-18,22H2,1-7H3,(H,41,47)(H,42,46);10-11,16H,5-9,12H2,1-4H3,(H,26,30)(H,27,29);8-9,14-15H,10-13H2,1-7H3;4-5,10-11H,6-9H2,1-3H3;2-3,8,15H,4-7H2,1H3;;;;1H/q;;;;;;;+1;/p-1
InChIKeySYVSFXFXQJEFTC-UHFFFAOYSA-M
MW2395.30 g/mol
LogP12.35
Rot. Bonds18

About potassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium

potassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium (PubChem CID 163981550) has the molecular formula C113H148BBr3F2K3N14O16P and a molecular weight of 2395.30 g/mol. Its IUPAC name is potassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium.

Molecular Properties

Compound Namepotassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium
PubChem CID163981550
Molecular FormulaC113H148BBr3F2K3N14O16P
Molecular Weight2395.30 g/mol
Exact Mass2390.75
IUPAC Namepotassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESCC(C)N1CCC2(CC1)C(=O)N(C)c1cc(B3OC(C)(C)C(C)(C)O3)ccc12.CC(C)N1CCC2(CC1)C(=O)N(C)c1cc(Br)ccc12.CCN(c1cc(-c2ccc3c(c2)N(C)C(=O)C32CCN(C(C)C)CC2)c(F)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(Br)c(F)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CN1C(=O)C2(CCNCC2)c2ccc(Br)cc21.O=[P+]([O-])O[O-].[K+].[K][K]
InChIInChI=1S/C39H50FN5O4.C23H29BrFN3O3.C22H33BN2O3.C16H21BrN2O.C13H15BrN2O.3K.HO4P/c1-8-45(28-11-17-49-18-12-28)32-21-29(35(40)34(26(32)6)37(47)41-22-30-24(4)19-25(5)42-36(30)46)27-9-10-31-33(20-27)43(7)38(48)39(31)13-15-44(16-14-39)23(2)3;1-5-28(16-6-8-31-9-7-16)19-11-18(24)21(25)20(15(19)4)23(30)26-12-17-13(2)10-14(3)27-22(17)29;1-15(2)25-12-10-22(11-13-25)17-9-8-16(14-18(17)24(7)19(22)26)23-27-20(3,4)21(5,6)28-23;1-11(2)19-8-6-16(7-9-19)13-5-4-12(17)10-14(13)18(3)15(16)20;1-16-11-8-9(14)2-3-10(11)13(12(16)17)4-6-15-7-5-13;;;;1-4-5(2)3/h9-10,19-21,23,28H,8,11-18,22H2,1-7H3,(H,41,47)(H,42,46);10-11,16H,5-9,12H2,1-4H3,(H,26,30)(H,27,29);8-9,14-15H,10-13H2,1-7H3;4-5,10-11H,6-9H2,1-3H3;2-3,8,15H,4-7H2,1H3;;;;1H/q;;;;;;;+1;/p-1
InChIKeySYVSFXFXQJEFTC-UHFFFAOYSA-M
XLogP12.35
TPSA342.73 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002395.30
LogP ≤ 512.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze potassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The IUPAC name of potassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium (CID 163981550) is potassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium.
What is the SMILES notation for potassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The canonical SMILES for potassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium is CC(C)N1CCC2(CC1)C(=O)N(C)c1cc(B3OC(C)(C)C(C)(C)O3)ccc12.CC(C)N1CCC2(CC1)C(=O)N(C)c1cc(Br)ccc12.CCN(c1cc(-c2ccc3c(c2)N(C)C(=O)C32CCN(C(C)C)CC2)c(F)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(Br)c(F)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CN1C(=O)C2(CCNCC2)c2ccc(Br)cc21.O=[P+]([O-])O[O-].[K+].[K][K].
What is the InChIKey of potassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The InChIKey is SYVSFXFXQJEFTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C39H50FN5O4.C23H29BrFN3O3.C22H33BN2O3.C16H21BrN2O.C13H15BrN2O.3K.HO4P/c1-8-45(28-11-17-49-18-12-28)32-21-29(35(40)34(26(32)6)37(47)41-22-30-24(4)19-25(5)42-36(30)46)27-9-10-31-33(20-27)43(7)38(48)39(31)13-15-44(16-14-39)23(2)3;1-5-28(16-6-8-31-9-7-16)19-11-18(24)21(25)20(15(19)4)23(30)26-12-17-13(2)10-14(3)27-22(17)29;1-15(2)25-12-10-22(11-13-25)17-9-8-16(14-18(17)24(7)19(22)26)23-27-20(3,4)21(5,6)28-23;1-11(2)19-8-6-16(7-9-19)13-5-4-12(17)10-14(13)18(3)15(16)20;1-16-11-8-9(14)2-3-10(11)13(12(16)17)4-6-15-7-5-13;;;;1-4-5(2)3/h9-10,19-21,23,28H,8,11-18,22H2,1-7H3,(H,41,47)(H,42,46);10-11,16H,5-9,12H2,1-4H3,(H,26,30)(H,27,29);8-9,14-15H,10-13H2,1-7H3;4-5,10-11H,6-9H2,1-3H3;2-3,8,15H,4-7H2,1H3;;;;1H/q;;;;;;;+1;/p-1.
What are the key properties of potassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium?
potassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium has a molecular weight of 2395.30 g/mol, XLogP of 12.35, 18 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide;6-bromo-1-methyl-1'-propan-2-ylspiro[indole-3,4'-piperidine]-2-one;6-bromo-1-methylspiro[indole-3,4'-piperidine]-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methyl-3-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide;1-methyl-1'-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;oxido-oxidooxy-oxophosphanium;potassiopotassium is sourced from PubChem (CID 163981550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).