(2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride

C82H129BClF9I3N15O11S — CID 158405320

About (2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride

(2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride (PubChem CID 158405320) has the molecular formula C82H129BClF9I3N15O11S and a molecular weight of 2131.05 g/mol. Its IUPAC name is (2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride.

Molecular Properties

• Compound Name: (2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride
• PubChem CID: 158405320
• Molecular Formula: C82H129BClF9I3N15O11S
• Molecular Weight: 2131.05 g/mol
• Exact Mass: 2129.65
• IUPAC Name: (2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride
• SMILES: C1COCCN1.CCOCC.CCOCC.C[C@@H](N)[C@@H](C)O.C[C@@H](O)[C@@H](C)Nc1cc(I)cc(F)n1.C[C@@H](O)[C@@H](C)Nc1cc(I)cc(N)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N)nc(N[C@H](C)[C@@H](C)O)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cl.Fc1cc(I)cc(F)n1.S
• InChI: InChI=1S/C23H30F3N5O2.C20H28BF3N2O3.C9H12FIN2O.C9H14IN3O.C5H2F2IN.C4H9NO.C4H11NO.2C4H10O.ClH.H2S/c1-13-4-5-18(29-22(33)31-7-6-16(12-31)11-23(24,25)26)10-19(13)17-8-20(27)30-21(9-17)28-14(2)15(3)32;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-5(6(2)14)12-9-4-7(11)3-8(10)13-9;1-5(6(2)14)12-9-4-7(10)3-8(11)13-9;6-4-1-3(8)2-5(7)9-4;1-3-6-4-2-5-1;1-3(5)4(2)6;2*1-3-5-4-2;;/h4-5,8-10,14-16,32H,6-7,11-12H2,1-3H3,(H,29,33)(H3,27,28,30);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);3-6,14H,1-2H3,(H,12,13);3-6,14H,1-2H3,(H3,11,12,13);1-2H;5H,1-4H2;3-4,6H,5H2,1-2H3;2*3-4H2,1-2H3;1H;1H2/t14-,15-,16+;14-;2*5-,6-;;;3-,4-;;;;/m1011..1..../s1
• InChIKey: PLSUQDLYFSVDRO-RTUOUJSRSA-N
• XLogP: 16.09
• TPSA: 369.49 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2131.05
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride?

The IUPAC name of (2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride (CID 158405320) is (2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride.

What is the SMILES notation for (2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride?

The canonical SMILES for (2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride is C1COCCN1.CCOCC.CCOCC.C[C@@H](N)[C@@H](C)O.C[C@@H](O)[C@@H](C)Nc1cc(I)cc(F)n1.C[C@@H](O)[C@@H](C)Nc1cc(I)cc(N)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N)nc(N[C@H](C)[C@@H](C)O)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cl.Fc1cc(I)cc(F)n1.S.

What is the InChIKey of (2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride?

The InChIKey is PLSUQDLYFSVDRO-RTUOUJSRSA-N. The full InChI is InChI=1S/C23H30F3N5O2.C20H28BF3N2O3.C9H12FIN2O.C9H14IN3O.C5H2F2IN.C4H9NO.C4H11NO.2C4H10O.ClH.H2S/c1-13-4-5-18(29-22(33)31-7-6-16(12-31)11-23(24,25)26)10-19(13)17-8-20(27)30-21(9-17)28-14(2)15(3)32;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-5(6(2)14)12-9-4-7(11)3-8(10)13-9;1-5(6(2)14)12-9-4-7(10)3-8(11)13-9;6-4-1-3(8)2-5(7)9-4;1-3-6-4-2-5-1;1-3(5)4(2)6;2*1-3-5-4-2;;/h4-5,8-10,14-16,32H,6-7,11-12H2,1-3H3,(H,29,33)(H3,27,28,30);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);3-6,14H,1-2H3,(H,12,13);3-6,14H,1-2H3,(H3,11,12,13);1-2H;5H,1-4H2;3-4,6H,5H2,1-2H3;2*3-4H2,1-2H3;1H;1H2/t14-,15-,16+;14-;2*5-,6-;;;3-,4-;;;;/m1011..1..../s1.

What are the key properties of (2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride?

(2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride has a molecular weight of 2131.05 g/mol, XLogP of 16.09, 20 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-3-aminobutan-2-ol;(3S)-N-[3-[2-amino-6-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-amino-4-iodo-2-pyridinyl)amino]butan-2-ol;2,6-difluoro-4-iodopyridine;ethoxyethane;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride is sourced from PubChem (CID 158405320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).