potassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium

C50H53F4K15N10O — CID 158343336

IUPACpotassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium
SMILESCc1cn(-c2ccc(/C=C3\CCCN(N(CCN)c4cc(F)cc(F)c4)C3=O)cc2C)cn1.Cc1cn(-c2ccc(/C=C3\CCCN4C3=NCCN4c3cc(F)cc(F)c3)cc2C)cn1.[H-].[K+].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K]
InChIInChI=1S/C25H27F2N5O.C25H25F2N5.15K.H/c1-17-10-19(5-6-24(17)30-15-18(2)29-16-30)11-20-4-3-8-32(25(20)33)31(9-7-28)23-13-21(26)12-22(27)14-23;1-17-10-19(5-6-24(17)30-15-18(2)29-16-30)11-20-4-3-8-32-25(20)28-7-9-31(32)23-13-21(26)12-22(27)14-23;;;;;;;;;;;;;;;;/h5-6,10-16H,3-4,7-9,28H2,1-2H3;5-6,10-16H,3-4,7-9H2,1-2H3;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;+1;-1/b2*20-11+;;;;;;;;;;;;;;;;
InChIKeyODMRKHZOGMGJEL-LYIUKBEASA-N
MW1472.50 g/mol
LogP1.02
Rot. Bonds9

About potassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium

potassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium (PubChem CID 158343336) has the molecular formula C50H53F4K15N10O and a molecular weight of 1472.50 g/mol. Its IUPAC name is potassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium.

Molecular Properties

Compound Namepotassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium
PubChem CID158343336
Molecular FormulaC50H53F4K15N10O
Molecular Weight1472.50 g/mol
Exact Mass1469.89
IUPAC Namepotassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium
SMILESCc1cn(-c2ccc(/C=C3\CCCN(N(CCN)c4cc(F)cc(F)c4)C3=O)cc2C)cn1.Cc1cn(-c2ccc(/C=C3\CCCN4C3=NCCN4c3cc(F)cc(F)c3)cc2C)cn1.[H-].[K+].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K]
InChIInChI=1S/C25H27F2N5O.C25H25F2N5.15K.H/c1-17-10-19(5-6-24(17)30-15-18(2)29-16-30)11-20-4-3-8-32(25(20)33)31(9-7-28)23-13-21(26)12-22(27)14-23;1-17-10-19(5-6-24(17)30-15-18(2)29-16-30)11-20-4-3-8-32-25(20)28-7-9-31(32)23-13-21(26)12-22(27)14-23;;;;;;;;;;;;;;;;/h5-6,10-16H,3-4,7-9,28H2,1-2H3;5-6,10-16H,3-4,7-9H2,1-2H3;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;+1;-1/b2*20-11+;;;;;;;;;;;;;;;;
InChIKeyODMRKHZOGMGJEL-LYIUKBEASA-N
XLogP1.02
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001472.50
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze potassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium?
The IUPAC name of potassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium (CID 158343336) is potassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium.
What is the SMILES notation for potassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium?
The canonical SMILES for potassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium is Cc1cn(-c2ccc(/C=C3\CCCN(N(CCN)c4cc(F)cc(F)c4)C3=O)cc2C)cn1.Cc1cn(-c2ccc(/C=C3\CCCN4C3=NCCN4c3cc(F)cc(F)c3)cc2C)cn1.[H-].[K+].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].
What is the InChIKey of potassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium?
The InChIKey is ODMRKHZOGMGJEL-LYIUKBEASA-N. The full InChI is InChI=1S/C25H27F2N5O.C25H25F2N5.15K.H/c1-17-10-19(5-6-24(17)30-15-18(2)29-16-30)11-20-4-3-8-32(25(20)33)31(9-7-28)23-13-21(26)12-22(27)14-23;1-17-10-19(5-6-24(17)30-15-18(2)29-16-30)11-20-4-3-8-32-25(20)28-7-9-31(32)23-13-21(26)12-22(27)14-23;;;;;;;;;;;;;;;;/h5-6,10-16H,3-4,7-9,28H2,1-2H3;5-6,10-16H,3-4,7-9H2,1-2H3;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;+1;-1/b2*20-11+;;;;;;;;;;;;;;;;.
What are the key properties of potassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium?
potassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium has a molecular weight of 1472.50 g/mol, XLogP of 1.02, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(3E)-1-[N-(2-aminoethyl)-3,5-difluoroanilino]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one;(9E)-4-(3,5-difluorophenyl)-9-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;hydride;potassiopotassium is sourced from PubChem (CID 158343336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).