sodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide

C74H55Cl3F12N12NaO10P — CID 162076967

IUPACsodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide
SMILESCC(=O)c1cnc(-c2ccccc2)c(N)c1.CC(=O)c1cnc(-c2ccccc2)c(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c1.Cn1ccc(-c2cc(C(=O)Nc3cc(C(=O)O)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.Cn1ccc(-c2cc(C(=O)O)c(F)cc2C(F)(F)F)n1.O=P(Cl)(Cl)Cl.[Na+].[OH-]
InChIInChI=1S/C25H18F4N4O2.C24H16F4N4O3.C13H12N2O.C12H8F4N2O2.Cl3OP.Na.H2O/c1-14(34)16-10-22(23(30-13-16)15-6-4-3-5-7-15)31-24(35)18-11-17(21-8-9-33(2)32-21)19(12-20(18)26)25(27,28)29;1-32-8-7-19(31-32)15-10-16(18(25)11-17(15)24(26,27)28)22(33)30-20-9-14(23(34)35)12-29-21(20)13-5-3-2-4-6-13;1-9(16)11-7-12(14)13(15-8-11)10-5-3-2-4-6-10;1-18-3-2-10(17-18)6-4-7(11(19)20)9(13)5-8(6)12(14,15)16;1-5(2,3)4;;/h3-13H,1-2H3,(H,31,35);2-12H,1H3,(H,30,33)(H,34,35);2-8H,14H2,1H3;2-5H,1H3,(H,19,20);;;1H2/q;;;;;+1;/p-1
InChIKeyZBVGSZZNFHPTMD-UHFFFAOYSA-M
MW1660.63 g/mol
LogP16.13
Rot. Bonds14

About sodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide

sodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide (PubChem CID 162076967) has the molecular formula C74H55Cl3F12N12NaO10P and a molecular weight of 1660.63 g/mol. Its IUPAC name is sodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide.

Molecular Properties

Compound Namesodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide
PubChem CID162076967
Molecular FormulaC74H55Cl3F12N12NaO10P
Molecular Weight1660.63 g/mol
Exact Mass1658.27
IUPAC Namesodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide
SMILESCC(=O)c1cnc(-c2ccccc2)c(N)c1.CC(=O)c1cnc(-c2ccccc2)c(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c1.Cn1ccc(-c2cc(C(=O)Nc3cc(C(=O)O)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.Cn1ccc(-c2cc(C(=O)O)c(F)cc2C(F)(F)F)n1.O=P(Cl)(Cl)Cl.[Na+].[OH-]
InChIInChI=1S/C25H18F4N4O2.C24H16F4N4O3.C13H12N2O.C12H8F4N2O2.Cl3OP.Na.H2O/c1-14(34)16-10-22(23(30-13-16)15-6-4-3-5-7-15)31-24(35)18-11-17(21-8-9-33(2)32-21)19(12-20(18)26)25(27,28)29;1-32-8-7-19(31-32)15-10-16(18(25)11-17(15)24(26,27)28)22(33)30-20-9-14(23(34)35)12-29-21(20)13-5-3-2-4-6-13;1-9(16)11-7-12(14)13(15-8-11)10-5-3-2-4-6-10;1-18-3-2-10(17-18)6-4-7(11(19)20)9(13)5-8(6)12(14,15)16;1-5(2,3)4;;/h3-13H,1-2H3,(H,31,35);2-12H,1H3,(H,30,33)(H,34,35);2-8H,14H2,1H3;2-5H,1H3,(H,19,20);;;1H2/q;;;;;+1;/p-1
InChIKeyZBVGSZZNFHPTMD-UHFFFAOYSA-M
XLogP16.13
TPSA332.16 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001660.63
LogP ≤ 516.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze sodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide?
The IUPAC name of sodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide (CID 162076967) is sodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide.
What is the SMILES notation for sodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide?
The canonical SMILES for sodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide is CC(=O)c1cnc(-c2ccccc2)c(N)c1.CC(=O)c1cnc(-c2ccccc2)c(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c1.Cn1ccc(-c2cc(C(=O)Nc3cc(C(=O)O)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.Cn1ccc(-c2cc(C(=O)O)c(F)cc2C(F)(F)F)n1.O=P(Cl)(Cl)Cl.[Na+].[OH-].
What is the InChIKey of sodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide?
The InChIKey is ZBVGSZZNFHPTMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H18F4N4O2.C24H16F4N4O3.C13H12N2O.C12H8F4N2O2.Cl3OP.Na.H2O/c1-14(34)16-10-22(23(30-13-16)15-6-4-3-5-7-15)31-24(35)18-11-17(21-8-9-33(2)32-21)19(12-20(18)26)25(27,28)29;1-32-8-7-19(31-32)15-10-16(18(25)11-17(15)24(26,27)28)22(33)30-20-9-14(23(34)35)12-29-21(20)13-5-3-2-4-6-13;1-9(16)11-7-12(14)13(15-8-11)10-5-3-2-4-6-10;1-18-3-2-10(17-18)6-4-7(11(19)20)9(13)5-8(6)12(14,15)16;1-5(2,3)4;;/h3-13H,1-2H3,(H,31,35);2-12H,1H3,(H,30,33)(H,34,35);2-8H,14H2,1H3;2-5H,1H3,(H,19,20);;;1H2/q;;;;;+1;/p-1.
What are the key properties of sodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide?
sodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide has a molecular weight of 1660.63 g/mol, XLogP of 16.13, 14 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-(5-acetyl-2-phenyl-3-pyridinyl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(5-amino-6-phenyl-3-pyridinyl)ethanone;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide is sourced from PubChem (CID 162076967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).