disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide

C64H48Cl4F7N23Na2O6P- — CID 157435979

About disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide

disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide (PubChem CID 157435979) has the molecular formula C64H48Cl4F7N23Na2O6P- and a molecular weight of 1586.99 g/mol. Its IUPAC name is disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide.

Molecular Properties

• Compound Name: disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide
• PubChem CID: 157435979
• Molecular Formula: C64H48Cl4F7N23Na2O6P-
• Molecular Weight: 1586.99 g/mol
• Exact Mass: 1584.23
• IUPAC Name: disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide
• SMILES: C[O-].Fc1ccccc1Cc1nc(-c2ncc(F)c(Cl)n2)cn2ncnc12.N#Cc1cn2ncnc2c(Cc2ccccc2F)n1.O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2cn3ncnc3c(Cc3ccccc3F)n2)ncc1F.[H]/N=C(\N)c1cn2ncnc2c(Cc2ccccc2F)n1.[H]/[C-]=C(/F)C(=O)OCC.[Na+].[Na+].[OH-]
• InChI: InChI=1S/C16H9ClF2N6.C16H10F2N6O.C13H11FN6.C13H8FN5.C5H6FO2.CH3O.Cl3OP.2Na.H2O/c17-14-11(19)6-20-15(24-14)13-7-25-16(21-8-22-25)12(23-13)5-9-3-1-2-4-10(9)18;17-10-4-2-1-3-9(10)5-12-15-20-8-21-24(15)7-13(22-12)14-19-6-11(18)16(25)23-14;14-9-4-2-1-3-8(9)5-10-13-17-7-18-20(13)6-11(19-10)12(15)16;14-11-4-2-1-3-9(11)5-12-13-16-8-17-19(13)7-10(6-15)18-12;1-3-8-5(7)4(2)6;1-2;1-5(2,3)4;;;/h1-4,6-8H,5H2;1-4,6-8H,5H2,(H,19,23,25);1-4,6-7H,5H2,(H3,15,16);1-4,7-8H,5H2;2H,3H2,1H3;1H3;;;;1H2/q;;;;2*-1;;2*+1;/p-1
• InChIKey: ODTDDRDJGZKLCJ-UHFFFAOYSA-M
• XLogP: 4.17
• TPSA: 413.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1586.99
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide?

The IUPAC name of disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide (CID 157435979) is disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide.

What is the SMILES notation for disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide?

The canonical SMILES for disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide is C[O-].Fc1ccccc1Cc1nc(-c2ncc(F)c(Cl)n2)cn2ncnc12.N#Cc1cn2ncnc2c(Cc2ccccc2F)n1.O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2cn3ncnc3c(Cc3ccccc3F)n2)ncc1F.[H]/N=C(\N)c1cn2ncnc2c(Cc2ccccc2F)n1.[H]/[C-]=C(/F)C(=O)OCC.[Na+].[Na+].[OH-].

What is the InChIKey of disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide?

The InChIKey is ODTDDRDJGZKLCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H9ClF2N6.C16H10F2N6O.C13H11FN6.C13H8FN5.C5H6FO2.CH3O.Cl3OP.2Na.H2O/c17-14-11(19)6-20-15(24-14)13-7-25-16(21-8-22-25)12(23-13)5-9-3-1-2-4-10(9)18;17-10-4-2-1-3-9(10)5-12-15-20-8-21-24(15)7-13(22-12)14-19-6-11(18)16(25)23-14;14-9-4-2-1-3-8(9)5-10-13-17-7-18-20(13)6-11(19-10)12(15)16;14-11-4-2-1-3-9(11)5-12-13-16-8-17-19(13)7-10(6-15)18-12;1-3-8-5(7)4(2)6;1-2;1-5(2,3)4;;;/h1-4,6-8H,5H2;1-4,6-8H,5H2,(H,19,23,25);1-4,6-7H,5H2,(H3,15,16);1-4,7-8H,5H2;2H,3H2,1H3;1H3;;;;1H2/q;;;;2*-1;;2*+1;/p-1.

What are the key properties of disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide?

disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide has a molecular weight of 1586.99 g/mol, XLogP of 4.17, 13 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethyl 2-fluoroprop-2-enoate;5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-1H-pyrimidin-6-one;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile;8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide;methanolate;phosphoryl trichloride;hydroxide is sourced from PubChem (CID 157435979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).