lithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride

C139H175B3BrClF14ILiN24O23 — CID 159700280

IUPAClithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride
SMILESC.C.CC#N.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)[C@@H](N)Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)c2nccn12.COC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)c2nccn12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C)cc1F.COC1=N[C@@H](Cc2ccc(-c3c(C(F)(F)F)cc(C)n(C)c3=O)c3nccn23)C(OC)=NC1C(C)C.COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(B2OC(C)(C)C(C)(C)O2)c2nccn12.COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(Br)c2nccn12.Cc1cc(C(F)(F)F)c(I)c(=O)n1C.Cl.[Li+].[OH-]
InChIInChI=1S/C31H30F5N5O5.C25H28F3N5O3.C23H33BN4O4.C19H19F3N4O3.C17H21BrN4O2.C12H24B2O4.C8H7F3INO.C2H3N.2CH4.ClH.Li.H2O/c1-16-11-21(31(34,35)36)25(29(43)39(16)3)20-6-5-18(41-8-7-37-27(20)41)14-24(30(44)45-4)38-28(42)26-22(32)12-19(13-23(26)33)40-9-10-46-15-17(40)2;1-13(2)20-23(36-6)30-18(22(31-20)35-5)12-15-7-8-16(21-29-9-10-33(15)21)19-17(25(26,27)28)11-14(3)32(4)24(19)34;1-14(2)18-21(30-8)26-17(20(27-18)29-7)13-15-9-10-16(19-25-11-12-28(15)19)24-31-22(3,4)23(5,6)32-24;1-10-8-13(19(20,21)22)15(17(27)25(10)2)12-5-4-11(9-14(23)18(28)29-3)26-7-6-24-16(12)26;1-10(2)14-17(24-4)20-13(16(21-14)23-3)9-11-5-6-12(18)15-19-7-8-22(11)15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-4-3-5(8(9,10)11)6(12)7(14)13(4)2;1-2-3;;;;;/h5-8,11-13,17,24H,9-10,14-15H2,1-4H3,(H,38,42);7-11,13,18,20H,12H2,1-6H3;9-12,14,17-18H,13H2,1-8H3;4-8,14H,9,23H2,1-3H3;5-8,10,13-14H,9H2,1-4H3;1-8H3;3H,1-2H3;1H3;2*1H4;1H;;1H2/q;;;;;;;;;;;+1;/p-1/t17-,24-;18-,20?;17-,18+;14-;13-,14+;;;;;;;;/m00000......../s1
InChIKeyQFLCSZHUIOUKAQ-HTAWNIHISA-M
MW3097.68 g/mol
LogP19.61
Rot. Bonds23

About lithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride

lithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride (PubChem CID 159700280) has the molecular formula C139H175B3BrClF14ILiN24O23 and a molecular weight of 3097.68 g/mol. Its IUPAC name is lithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride
PubChem CID159700280
Molecular FormulaC139H175B3BrClF14ILiN24O23
Molecular Weight3097.68 g/mol
Exact Mass3095.14
IUPAC Namelithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride
SMILESC.C.CC#N.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)[C@@H](N)Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)c2nccn12.COC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)c2nccn12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C)cc1F.COC1=N[C@@H](Cc2ccc(-c3c(C(F)(F)F)cc(C)n(C)c3=O)c3nccn23)C(OC)=NC1C(C)C.COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(B2OC(C)(C)C(C)(C)O2)c2nccn12.COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(Br)c2nccn12.Cc1cc(C(F)(F)F)c(I)c(=O)n1C.Cl.[Li+].[OH-]
InChIInChI=1S/C31H30F5N5O5.C25H28F3N5O3.C23H33BN4O4.C19H19F3N4O3.C17H21BrN4O2.C12H24B2O4.C8H7F3INO.C2H3N.2CH4.ClH.Li.H2O/c1-16-11-21(31(34,35)36)25(29(43)39(16)3)20-6-5-18(41-8-7-37-27(20)41)14-24(30(44)45-4)38-28(42)26-22(32)12-19(13-23(26)33)40-9-10-46-15-17(40)2;1-13(2)20-23(36-6)30-18(22(31-20)35-5)12-15-7-8-16(21-29-9-10-33(15)21)19-17(25(26,27)28)11-14(3)32(4)24(19)34;1-14(2)18-21(30-8)26-17(20(27-18)29-7)13-15-9-10-16(19-25-11-12-28(15)19)24-31-22(3,4)23(5,6)32-24;1-10-8-13(19(20,21)22)15(17(27)25(10)2)12-5-4-11(9-14(23)18(28)29-3)26-7-6-24-16(12)26;1-10(2)14-17(24-4)20-13(16(21-14)23-3)9-11-5-6-12(18)15-19-7-8-22(11)15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-4-3-5(8(9,10)11)6(12)7(14)13(4)2;1-2-3;;;;;/h5-8,11-13,17,24H,9-10,14-15H2,1-4H3,(H,38,42);7-11,13,18,20H,12H2,1-6H3;9-12,14,17-18H,13H2,1-8H3;4-8,14H,9,23H2,1-3H3;5-8,10,13-14H,9H2,1-4H3;1-8H3;3H,1-2H3;1H3;2*1H4;1H;;1H2/q;;;;;;;;;;;+1;/p-1/t17-,24-;18-,20?;17-,18+;14-;13-,14+;;;;;;;;/m00000......../s1
InChIKeyQFLCSZHUIOUKAQ-HTAWNIHISA-M
XLogP19.61
TPSA533.40 Ų
H-Bond Donors2
H-Bond Acceptors46
Rotatable Bonds23
Heavy Atoms207
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003097.68
LogP ≤ 519.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze lithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride?
The IUPAC name of lithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride (CID 159700280) is lithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride.
What is the SMILES notation for lithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride?
The canonical SMILES for lithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride is C.C.CC#N.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)[C@@H](N)Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)c2nccn12.COC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)c2nccn12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C)cc1F.COC1=N[C@@H](Cc2ccc(-c3c(C(F)(F)F)cc(C)n(C)c3=O)c3nccn23)C(OC)=NC1C(C)C.COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(B2OC(C)(C)C(C)(C)O2)c2nccn12.COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(Br)c2nccn12.Cc1cc(C(F)(F)F)c(I)c(=O)n1C.Cl.[Li+].[OH-].
What is the InChIKey of lithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride?
The InChIKey is QFLCSZHUIOUKAQ-HTAWNIHISA-M. The full InChI is InChI=1S/C31H30F5N5O5.C25H28F3N5O3.C23H33BN4O4.C19H19F3N4O3.C17H21BrN4O2.C12H24B2O4.C8H7F3INO.C2H3N.2CH4.ClH.Li.H2O/c1-16-11-21(31(34,35)36)25(29(43)39(16)3)20-6-5-18(41-8-7-37-27(20)41)14-24(30(44)45-4)38-28(42)26-22(32)12-19(13-23(26)33)40-9-10-46-15-17(40)2;1-13(2)20-23(36-6)30-18(22(31-20)35-5)12-15-7-8-16(21-29-9-10-33(15)21)19-17(25(26,27)28)11-14(3)32(4)24(19)34;1-14(2)18-21(30-8)26-17(20(27-18)29-7)13-15-9-10-16(19-25-11-12-28(15)19)24-31-22(3,4)23(5,6)32-24;1-10-8-13(19(20,21)22)15(17(27)25(10)2)12-5-4-11(9-14(23)18(28)29-3)26-7-6-24-16(12)26;1-10(2)14-17(24-4)20-13(16(21-14)23-3)9-11-5-6-12(18)15-19-7-8-22(11)15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-4-3-5(8(9,10)11)6(12)7(14)13(4)2;1-2-3;;;;;/h5-8,11-13,17,24H,9-10,14-15H2,1-4H3,(H,38,42);7-11,13,18,20H,12H2,1-6H3;9-12,14,17-18H,13H2,1-8H3;4-8,14H,9,23H2,1-3H3;5-8,10,13-14H,9H2,1-4H3;1-8H3;3H,1-2H3;1H3;2*1H4;1H;;1H2/q;;;;;;;;;;;+1;/p-1/t17-,24-;18-,20?;17-,18+;14-;13-,14+;;;;;;;;/m00000......../s1.
What are the key properties of lithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride?
lithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride has a molecular weight of 3097.68 g/mol, XLogP of 19.61, 23 rotatable bonds, 2 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;acetonitrile;8-bromo-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridine;3-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;methyl (2S)-2-amino-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride is sourced from PubChem (CID 159700280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).