lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide

C86H83BrClF8KLiN19O8 — CID 161188973

About lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide

lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide (PubChem CID 161188973) has the molecular formula C86H83BrClF8KLiN19O8 and a molecular weight of 1824.11 g/mol. Its IUPAC name is lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide.

Molecular Properties

• Compound Name: lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide
• PubChem CID: 161188973
• Molecular Formula: C86H83BrClF8KLiN19O8
• Molecular Weight: 1824.11 g/mol
• Exact Mass: 1821.52
• IUPAC Name: lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide
• SMILES: C1CCOC1.C=CCn1cc(C(=O)C(F)(F)F)c2ncn(C)c(=O)c21.C=CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ncn(C)c(=O)c21.C=CCn1ccc2nc[nH]c(=O)c21.C=CCn1ccc2ncn(C)c(=O)c21.C=CCn1ccc2ncnc(Cl)c21.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.[CH2-]CCC.[K+].[Li+].[OH-]
• InChI: InChI=1S/C25H19F4N5O2.C13H8BrFN2.C12H10F3N3O2.C10H11N3O.C9H8ClN3.C9H9N3O.C4H8O.C4H9.K.Li.H2O/c1-3-10-33-13-19(21-22(33)23(35)32(2)14-30-21)24(36,25(27,28)29)16-4-9-20-15(11-16)12-31-34(20)18-7-5-17(26)6-8-18;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;1-3-4-18-5-7(10(19)12(13,14)15)8-9(18)11(20)17(2)6-16-8;1-3-5-13-6-4-8-9(13)10(14)12(2)7-11-8;1-2-4-13-5-3-7-8(13)9(10)12-6-11-7;1-2-4-12-5-3-7-8(12)9(13)11-6-10-7;1-2-4-5-3-1;1-3-4-2;;;/h3-9,11-14,36H,1,10H2,2H3;1-8H;3,5-6H,1,4H2,2H3;3-4,6-7H,1,5H2,2H3;2-3,5-6H,1,4H2;2-3,5-6H,1,4H2,(H,10,11,13);1-4H2;1,3-4H2,2H3;;;1H2/q;;;;;;;-1;2*+1;/p-1
• InChIKey: OPKYRADWOXMCIT-UHFFFAOYSA-M
• XLogP: 10.14
• TPSA: 313.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1824.11
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide?

The IUPAC name of lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide (CID 161188973) is lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide.

What is the SMILES notation for lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide?

The canonical SMILES for lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide is C1CCOC1.C=CCn1cc(C(=O)C(F)(F)F)c2ncn(C)c(=O)c21.C=CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ncn(C)c(=O)c21.C=CCn1ccc2nc[nH]c(=O)c21.C=CCn1ccc2ncn(C)c(=O)c21.C=CCn1ccc2ncnc(Cl)c21.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.[CH2-]CCC.[K+].[Li+].[OH-].

What is the InChIKey of lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide?

The InChIKey is OPKYRADWOXMCIT-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H19F4N5O2.C13H8BrFN2.C12H10F3N3O2.C10H11N3O.C9H8ClN3.C9H9N3O.C4H8O.C4H9.K.Li.H2O/c1-3-10-33-13-19(21-22(33)23(35)32(2)14-30-21)24(36,25(27,28)29)16-4-9-20-15(11-16)12-31-34(20)18-7-5-17(26)6-8-18;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;1-3-4-18-5-7(10(19)12(13,14)15)8-9(18)11(20)17(2)6-16-8;1-3-5-13-6-4-8-9(13)10(14)12(2)7-11-8;1-2-4-13-5-3-7-8(13)9(10)12-6-11-7;1-2-4-12-5-3-7-8(12)9(13)11-6-10-7;1-2-4-5-3-1;1-3-4-2;;;/h3-9,11-14,36H,1,10H2,2H3;1-8H;3,5-6H,1,4H2,2H3;3-4,6-7H,1,5H2,2H3;2-3,5-6H,1,4H2;2-3,5-6H,1,4H2,(H,10,11,13);1-4H2;1,3-4H2,2H3;;;1H2/q;;;;;;;-1;2*+1;/p-1.

What are the key properties of lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide?

lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide has a molecular weight of 1824.11 g/mol, XLogP of 10.14, 16 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide is sourced from PubChem (CID 161188973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).