5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid

C60H63BBrCl2F2N11O9 — CID 157380416

IUPAC5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid
SMILESNc1ccc(C2CCC(=O)NC2)cn1.Nc1ncc(C2CCC(=O)NC2)cc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.Nc1ncc(C2CCC(=O)NC2)cc1Br.O=C(N[C@H](CO)c1cccc(Cl)c1)c1ccc(B(O)O)cc1F
InChIInChI=1S/C25H24ClFN4O3.C15H14BClFNO4.C10H12BrN3O.C10H13N3O/c26-18-3-1-2-15(8-18)22(13-32)31-25(34)19-6-4-14(10-21(19)27)20-9-17(12-30-24(20)28)16-5-7-23(33)29-11-16;17-11-3-1-2-9(6-11)14(8-20)19-15(21)12-5-4-10(16(22)23)7-13(12)18;11-8-3-7(5-14-10(8)12)6-1-2-9(15)13-4-6;11-9-3-1-7(5-12-9)8-2-4-10(14)13-6-8/h1-4,6,8-10,12,16,22,32H,5,7,11,13H2,(H2,28,30)(H,29,33)(H,31,34);1-7,14,20,22-23H,8H2,(H,19,21);3,5-6H,1-2,4H2,(H2,12,14)(H,13,15);1,3,5,8H,2,4,6H2,(H2,11,12)(H,13,14)/t16?,22-;14-;;/m11../s1
InChIKeyBKUWFWJGRJTVCT-IQIRDSJPSA-N
MW1281.85 g/mol
LogP6.28
Rot. Bonds13

About 5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid

5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid (PubChem CID 157380416) has the molecular formula C60H63BBrCl2F2N11O9 and a molecular weight of 1281.85 g/mol. Its IUPAC name is 5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid.

Molecular Properties

Compound Name5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid
PubChem CID157380416
Molecular FormulaC60H63BBrCl2F2N11O9
Molecular Weight1281.85 g/mol
Exact Mass1279.34
IUPAC Name5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid
SMILESNc1ccc(C2CCC(=O)NC2)cn1.Nc1ncc(C2CCC(=O)NC2)cc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.Nc1ncc(C2CCC(=O)NC2)cc1Br.O=C(N[C@H](CO)c1cccc(Cl)c1)c1ccc(B(O)O)cc1F
InChIInChI=1S/C25H24ClFN4O3.C15H14BClFNO4.C10H12BrN3O.C10H13N3O/c26-18-3-1-2-15(8-18)22(13-32)31-25(34)19-6-4-14(10-21(19)27)20-9-17(12-30-24(20)28)16-5-7-23(33)29-11-16;17-11-3-1-2-9(6-11)14(8-20)19-15(21)12-5-4-10(16(22)23)7-13(12)18;11-8-3-7(5-14-10(8)12)6-1-2-9(15)13-4-6;11-9-3-1-7(5-12-9)8-2-4-10(14)13-6-8/h1-4,6,8-10,12,16,22,32H,5,7,11,13H2,(H2,28,30)(H,29,33)(H,31,34);1-7,14,20,22-23H,8H2,(H,19,21);3,5-6H,1-2,4H2,(H2,12,14)(H,13,15);1,3,5,8H,2,4,6H2,(H2,11,12)(H,13,14)/t16?,22-;14-;;/m11../s1
InChIKeyBKUWFWJGRJTVCT-IQIRDSJPSA-N
XLogP6.28
TPSA343.15 Ų
H-Bond Donors12
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001281.85
LogP ≤ 56.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-4-(2-amino-5-bromopyridin-3-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-2-fluorobenzamide
CID 118046407
4-(2-amino-5-bromo-3-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118046408
4-[3-amino-6-[(1R,3R)-4,4-difluoro-3-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[(1R,3S)-4,4-difluoro-3-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(3-hydroxyazetidine-1-carbonyl)pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 160898447
4-[2-amino-5-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 134495498
4-[2-amino-5-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 134495500
4-[3-amino-6-(4-aminocyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 157093094
5-bromo-2-chloropyridine;2-[(5-bromo-2-pyridinyl)amino]ethanol;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-[6-(2-hydroxyethylamino)-3-pyridinyl]phenyl]methylamino]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 157322362
4-[3-amino-6-(4-fluorocyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(4-hydroxycyclohexyl)-3-pyridinyl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[4-(hydroxymethyl)cyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;6-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 157368178
4-[6-(1-acetylpiperidin-4-yl)-3-aminopyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[6-(1-acetylpiperidin-4-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-benzyl-2-fluoro-N-methylbenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-N-methylbenzamide
CID 157399863
4-[3-amino-6-(2-cyanoethyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-(2-amino-5-morpholin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]benzamide;4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 157439650
bis(4-[3-amino-6-(4-aminocyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);methane
CID 157771842
4-[3-amino-6-(4-deuterio-4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2,2-dideuterio-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2,2-dideuterio-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
CID 157846438

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid?
The IUPAC name of 5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid (CID 157380416) is 5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid.
What is the SMILES notation for 5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid?
The canonical SMILES for 5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid is Nc1ccc(C2CCC(=O)NC2)cn1.Nc1ncc(C2CCC(=O)NC2)cc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.Nc1ncc(C2CCC(=O)NC2)cc1Br.O=C(N[C@H](CO)c1cccc(Cl)c1)c1ccc(B(O)O)cc1F.
What is the InChIKey of 5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid?
The InChIKey is BKUWFWJGRJTVCT-IQIRDSJPSA-N. The full InChI is InChI=1S/C25H24ClFN4O3.C15H14BClFNO4.C10H12BrN3O.C10H13N3O/c26-18-3-1-2-15(8-18)22(13-32)31-25(34)19-6-4-14(10-21(19)27)20-9-17(12-30-24(20)28)16-5-7-23(33)29-11-16;17-11-3-1-2-9(6-11)14(8-20)19-15(21)12-5-4-10(16(22)23)7-13(12)18;11-8-3-7(5-14-10(8)12)6-1-2-9(15)13-4-6;11-9-3-1-7(5-12-9)8-2-4-10(14)13-6-8/h1-4,6,8-10,12,16,22,32H,5,7,11,13H2,(H2,28,30)(H,29,33)(H,31,34);1-7,14,20,22-23H,8H2,(H,19,21);3,5-6H,1-2,4H2,(H2,12,14)(H,13,15);1,3,5,8H,2,4,6H2,(H2,11,12)(H,13,14)/t16?,22-;14-;;/m11../s1.
What are the key properties of 5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid?
5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid has a molecular weight of 1281.85 g/mol, XLogP of 6.28, 13 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;5-(6-amino-3-pyridinyl)piperidin-2-one;[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]boronic acid is sourced from PubChem (CID 157380416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).