lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide

C98H125Br3F2LiN16NaO10 — CID 165092151

About lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide

lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide (PubChem CID 165092151) has the molecular formula C98H125Br3F2LiN16NaO10 and a molecular weight of 1994.82 g/mol. Its IUPAC name is lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide.

Molecular Properties

• Compound Name: lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide
• PubChem CID: 165092151
• Molecular Formula: C98H125Br3F2LiN16NaO10
• Molecular Weight: 1994.82 g/mol
• Exact Mass: 1990.73
• IUPAC Name: lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide
• SMILES: C.C1CCOC1.C1CCOC1.CC[C@H](C)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3nc(C)c(C)cc3C)c3nccn23)C(=O)OC)c(F)c1.COC(=O)[C@@H](N)Cc1ccc(-c2nc(C)c(C)cc2C)c2nccn12.COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(-c2nc(C)c(C)cc2C)c2nccn12.Cc1cc(C)c(Br)nc1C.Cc1ccc(Br)nc1Br.[CH3-].[Li+].[Na+].[OH-]
• InChI: InChI=1S/C30H33F2N5O3.C25H31N5O2.C19H22N4O2.C8H10BrN.C6H5Br2N.2C4H8O.CH4.CH3.Li.Na.H2O/c1-7-18(4)34-20-13-23(31)26(24(32)14-20)29(38)36-25(30(39)40-6)15-21-8-9-22(28-33-10-11-37(21)28)27-17(3)12-16(2)19(5)35-27;1-14(2)21-25(32-7)28-20(24(29-21)31-6)13-18-8-9-19(23-26-10-11-30(18)23)22-16(4)12-15(3)17(5)27-22;1-11-9-12(2)17(22-13(11)3)15-6-5-14(10-16(20)19(24)25-4)23-8-7-21-18(15)23;1-5-4-6(2)8(9)10-7(5)3;1-4-2-3-5(7)9-6(4)8;2*1-2-4-5-3-1;;;;;/h8-14,18,25,34H,7,15H2,1-6H3,(H,36,38);8-12,14,20-21H,13H2,1-7H3;5-9,16H,10,20H2,1-4H3;4H,1-3H3;2-3H,1H3;2*1-4H2;1H4;1H3;;;1H2/q;;;;;;;;-1;2*+1;/p-1/t18-,25-;20-,21+;16-;;;;;;;;;/m000........./s1
• InChIKey: BLUTYHRCVKKTLL-ARWBPXAQSA-M
• XLogP: 14.24
• TPSA: 327.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1994.82
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide?

The IUPAC name of lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide (CID 165092151) is lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide.

What is the SMILES notation for lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide?

The canonical SMILES for lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide is C.C1CCOC1.C1CCOC1.CC[C@H](C)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3nc(C)c(C)cc3C)c3nccn23)C(=O)OC)c(F)c1.COC(=O)[C@@H](N)Cc1ccc(-c2nc(C)c(C)cc2C)c2nccn12.COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(-c2nc(C)c(C)cc2C)c2nccn12.Cc1cc(C)c(Br)nc1C.Cc1ccc(Br)nc1Br.[CH3-].[Li+].[Na+].[OH-].

What is the InChIKey of lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide?

The InChIKey is BLUTYHRCVKKTLL-ARWBPXAQSA-M. The full InChI is InChI=1S/C30H33F2N5O3.C25H31N5O2.C19H22N4O2.C8H10BrN.C6H5Br2N.2C4H8O.CH4.CH3.Li.Na.H2O/c1-7-18(4)34-20-13-23(31)26(24(32)14-20)29(38)36-25(30(39)40-6)15-21-8-9-22(28-33-10-11-37(21)28)27-17(3)12-16(2)19(5)35-27;1-14(2)21-25(32-7)28-20(24(29-21)31-6)13-18-8-9-19(23-26-10-11-30(18)23)22-16(4)12-15(3)17(5)27-22;1-11-9-12(2)17(22-13(11)3)15-6-5-14(10-16(20)19(24)25-4)23-8-7-21-18(15)23;1-5-4-6(2)8(9)10-7(5)3;1-4-2-3-5(7)9-6(4)8;2*1-2-4-5-3-1;;;;;/h8-14,18,25,34H,7,15H2,1-6H3,(H,36,38);8-12,14,20-21H,13H2,1-7H3;5-9,16H,10,20H2,1-4H3;4H,1-3H3;2-3H,1H3;2*1-4H2;1H4;1H3;;;1H2/q;;;;;;;;-1;2*+1;/p-1/t18-,25-;20-,21+;16-;;;;;;;;;/m000........./s1.

What are the key properties of lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide?

lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide has a molecular weight of 1994.82 g/mol, XLogP of 14.24, 17 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide is sourced from PubChem (CID 165092151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).