sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide

C98H112Cl4F17N23NaO14P — CID 165093454

About sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide

sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide (PubChem CID 165093454) has the molecular formula C98H112Cl4F17N23NaO14P and a molecular weight of 2354.86 g/mol. Its IUPAC name is sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide.

Molecular Properties

• Compound Name: sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide
• PubChem CID: 165093454
• Molecular Formula: C98H112Cl4F17N23NaO14P
• Molecular Weight: 2354.86 g/mol
• Exact Mass: 2351.69
• IUPAC Name: sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide
• SMILES: C.C1CCOC1.CC(=O)O.CC[C@H](C)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3nc(C)nc(C)c3C(F)(F)F)c3nccn23)C(=O)OC)c(F)c1.COC(=O)[C@@H](N)Cc1ccc(-c2nc(C)nc(C)c2C(F)(F)F)c2nccn12.COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(-c2nc(C)nc(C)c2C(F)(F)F)c2nccn12.Cc1cc(=O)[nH]c(C)n1.Cc1nc(C)c(C(F)(F)F)c(=O)[nH]1.Cc1nc(C)c(C(F)(F)F)c(Cl)n1.O=P(Cl)(Cl)Cl.[Na+].[OH-]
• InChI: InChI=1S/C29H29F5N6O3.C24H27F3N6O2.C18H18F3N5O2.C7H6ClF3N2.C7H7F3N2O.C6H8N2O.C4H8O.C2H4O2.CH4.Cl3OP.Na.H2O/c1-6-14(2)36-17-11-20(30)23(21(31)12-17)27(41)39-22(28(42)43-5)13-18-7-8-19(26-35-9-10-40(18)26)25-24(29(32,33)34)15(3)37-16(4)38-25;1-12(2)19-23(35-6)31-17(22(32-19)34-5)11-15-7-8-16(21-28-9-10-33(15)21)20-18(24(25,26)27)13(3)29-14(4)30-20;1-9-14(18(19,20)21)15(25-10(2)24-9)12-5-4-11(8-13(22)17(27)28-3)26-7-6-23-16(12)26;1-3-5(7(9,10)11)6(8)13-4(2)12-3;1-3-5(7(8,9)10)6(13)12-4(2)11-3;1-4-3-6(9)8-5(2)7-4;1-2-4-5-3-1;1-2(3)4;;1-5(2,3)4;;/h7-12,14,22,36H,6,13H2,1-5H3,(H,39,41);7-10,12,17,19H,11H2,1-6H3;4-7,13H,8,22H2,1-3H3;1-2H3;1-2H3,(H,11,12,13);3H,1-2H3,(H,7,8,9);1-4H2;1H3,(H,3,4);1H4;;;1H2/q;;;;;;;;;;+1;/p-1/t14-,22-;17-,19+;13-;;;;;;;;;/m000........./s1
• InChIKey: DLJMJAVTNDSGSD-MWJHCIQRSA-M
• XLogP: 18.09
• TPSA: 503.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 17
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2354.86
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide?

The IUPAC name of sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide (CID 165093454) is sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide.

What is the SMILES notation for sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide?

The canonical SMILES for sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide is C.C1CCOC1.CC(=O)O.CC[C@H](C)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3nc(C)nc(C)c3C(F)(F)F)c3nccn23)C(=O)OC)c(F)c1.COC(=O)[C@@H](N)Cc1ccc(-c2nc(C)nc(C)c2C(F)(F)F)c2nccn12.COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(-c2nc(C)nc(C)c2C(F)(F)F)c2nccn12.Cc1cc(=O)[nH]c(C)n1.Cc1nc(C)c(C(F)(F)F)c(=O)[nH]1.Cc1nc(C)c(C(F)(F)F)c(Cl)n1.O=P(Cl)(Cl)Cl.[Na+].[OH-].

What is the InChIKey of sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide?

The InChIKey is DLJMJAVTNDSGSD-MWJHCIQRSA-M. The full InChI is InChI=1S/C29H29F5N6O3.C24H27F3N6O2.C18H18F3N5O2.C7H6ClF3N2.C7H7F3N2O.C6H8N2O.C4H8O.C2H4O2.CH4.Cl3OP.Na.H2O/c1-6-14(2)36-17-11-20(30)23(21(31)12-17)27(41)39-22(28(42)43-5)13-18-7-8-19(26-35-9-10-40(18)26)25-24(29(32,33)34)15(3)37-16(4)38-25;1-12(2)19-23(35-6)31-17(22(32-19)34-5)11-15-7-8-16(21-28-9-10-33(15)21)20-18(24(25,26)27)13(3)29-14(4)30-20;1-9-14(18(19,20)21)15(25-10(2)24-9)12-5-4-11(8-13(22)17(27)28-3)26-7-6-23-16(12)26;1-3-5(7(9,10)11)6(8)13-4(2)12-3;1-3-5(7(8,9)10)6(13)12-4(2)11-3;1-4-3-6(9)8-5(2)7-4;1-2-4-5-3-1;1-2(3)4;;1-5(2,3)4;;/h7-12,14,22,36H,6,13H2,1-5H3,(H,39,41);7-10,12,17,19H,11H2,1-6H3;4-7,13H,8,22H2,1-3H3;1-2H3;1-2H3,(H,11,12,13);3H,1-2H3,(H,7,8,9);1-4H2;1H3,(H,3,4);1H4;;;1H2/q;;;;;;;;;;+1;/p-1/t14-,22-;17-,19+;13-;;;;;;;;;/m000........./s1.

What are the key properties of sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide?

sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide has a molecular weight of 2354.86 g/mol, XLogP of 18.09, 17 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;acetic acid;4-chloro-2,6-dimethyl-5-(trifluoromethyl)pyrimidine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2,4-dimethyl-1H-pyrimidin-6-one;2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one;methane;methyl (2S)-2-amino-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-[2,6-dimethyl-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;phosphoryl trichloride;hydroxide is sourced from PubChem (CID 165093454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).