sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide

C94H94F5N16NaO13S2 — CID 157131709

About sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide

sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide (PubChem CID 157131709) has the molecular formula C94H94F5N16NaO13S2 and a molecular weight of 1839.01 g/mol. Its IUPAC name is sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide.

Molecular Properties

• Compound Name: sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide
• PubChem CID: 157131709
• Molecular Formula: C94H94F5N16NaO13S2
• Molecular Weight: 1839.01 g/mol
• Exact Mass: 1837.65
• IUPAC Name: sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide
• SMILES: CC(=O)c1ccc(Nc2ccc(F)cc2)c(N)c1.CC(=O)c1ccc2c(c1)CC(=O)N2c1ccc(F)cc1.CCO.O=C(O)c1ccc2c(c1)CC(=O)N2c1ccc(F)cc1.O=C(c1ccc2c(c1)CC(=O)N2c1ccc(F)cc1)N1CC(C2CCN(C(=O)c3cncs3)CC2)C1.O=C(c1nccs1)N1CCC(C2CNC2)CC1.O=C(n1ccnc1)n1ccnc1.[2H]CF.[NH-]O.[Na+]
• InChI: InChI=1S/C27H25FN4O3S.C16H12FNO2.C15H10FNO3.C14H13FN2O.C12H17N3OS.C7H6N4O.C2H6O.CH3F.H2NO.Na/c28-21-2-4-22(5-3-21)32-23-6-1-18(11-19(23)12-25(32)33)26(34)31-14-20(15-31)17-7-9-30(10-8-17)27(35)24-13-29-16-36-24;1-10(19)11-2-7-15-12(8-11)9-16(20)18(15)14-5-3-13(17)4-6-14;16-11-2-4-12(5-3-11)17-13-6-1-9(15(19)20)7-10(13)8-14(17)18;1-9(18)10-2-7-14(13(16)8-10)17-12-5-3-11(15)4-6-12;16-12(11-14-3-6-17-11)15-4-1-9(2-5-15)10-7-13-8-10;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-2-3;2*1-2;/h1-6,11,13,16-17,20H,7-10,12,14-15H2;2-8H,9H2,1H3;1-7H,8H2,(H,19,20);2-8,17H,16H2,1H3;3,6,9-10,13H,1-2,4-5,7-8H2;1-6H;3H,2H2,1H3;1H3;1-2H;/q;;;;;;;;-1;+1/i;;;;;;;1D
• InChIKey: AJDPRXXYRQHCSS-SPKVUICESA-N
• XLogP: 13.30
• TPSA: 386.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1839.01
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide?

The IUPAC name of sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide (CID 157131709) is sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide.

What is the SMILES notation for sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide?

The canonical SMILES for sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide is CC(=O)c1ccc(Nc2ccc(F)cc2)c(N)c1.CC(=O)c1ccc2c(c1)CC(=O)N2c1ccc(F)cc1.CCO.O=C(O)c1ccc2c(c1)CC(=O)N2c1ccc(F)cc1.O=C(c1ccc2c(c1)CC(=O)N2c1ccc(F)cc1)N1CC(C2CCN(C(=O)c3cncs3)CC2)C1.O=C(c1nccs1)N1CCC(C2CNC2)CC1.O=C(n1ccnc1)n1ccnc1.[2H]CF.[NH-]O.[Na+].

What is the InChIKey of sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide?

The InChIKey is AJDPRXXYRQHCSS-SPKVUICESA-N. The full InChI is InChI=1S/C27H25FN4O3S.C16H12FNO2.C15H10FNO3.C14H13FN2O.C12H17N3OS.C7H6N4O.C2H6O.CH3F.H2NO.Na/c28-21-2-4-22(5-3-21)32-23-6-1-18(11-19(23)12-25(32)33)26(34)31-14-20(15-31)17-7-9-30(10-8-17)27(35)24-13-29-16-36-24;1-10(19)11-2-7-15-12(8-11)9-16(20)18(15)14-5-3-13(17)4-6-14;16-11-2-4-12(5-3-11)17-13-6-1-9(15(19)20)7-10(13)8-14(17)18;1-9(18)10-2-7-14(13(16)8-10)17-12-5-3-11(15)4-6-12;16-12(11-14-3-6-17-11)15-4-1-9(2-5-15)10-7-13-8-10;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-2-3;2*1-2;/h1-6,11,13,16-17,20H,7-10,12,14-15H2;2-8H,9H2,1H3;1-7H,8H2,(H,19,20);2-8,17H,16H2,1H3;3,6,9-10,13H,1-2,4-5,7-8H2;1-6H;3H,2H2,1H3;1H3;1-2H;/q;;;;;;;;-1;+1/i;;;;;;;1D;;.

What are the key properties of sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide?

sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide has a molecular weight of 1839.01 g/mol, XLogP of 13.30, 13 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-acetyl-1-(4-fluorophenyl)-3H-indol-2-one;1-[3-amino-4-(4-fluoroanilino)phenyl]ethanone;[4-(azetidin-3-yl)piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;deuterio(fluoro)methane;di(imidazol-1-yl)methanone;ethanol;1-(4-fluorophenyl)-2-oxo-3H-indole-5-carboxylic acid;1-(4-fluorophenyl)-5-[3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]azetidine-1-carbonyl]-3H-indol-2-one;hydroxyazanide is sourced from PubChem (CID 157131709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).