(2R,3R)-3-aminobutan-2-ol;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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

C82H124BClF6I3N15O11S — CID 159081119

About (2R,3R)-3-aminobutan-2-ol;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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 159081119) has the molecular formula C82H124BClF6I3N15O11S and a molecular weight of 2069.02 g/mol. Its IUPAC name is (2R,3R)-3-aminobutan-2-ol;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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: 159081119
• Molecular Formula: C82H124BClF6I3N15O11S
• Molecular Weight: 2069.02 g/mol
• Exact Mass: 2067.61
• IUPAC Name: (2R,3R)-3-aminobutan-2-ol;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@H](C)[C@@H](C)O)nc(N4CCOCC4)c3)c2)C1.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(N2CCOCC2)n1.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/C27H39N5O3.C20H28BF3N2O3.C13H20IN3O2.C9H12FIN2O.C5H2F2IN.C4H9NO.C4H11NO.ClH.H2S/c1-5-21-8-9-32(17-21)27(34)29-23-7-6-18(2)24(16-23)22-14-25(28-19(3)20(4)33)30-26(15-22)31-10-12-35-13-11-31;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;1-9(10(2)18)15-12-7-11(14)8-13(16-12)17-3-5-19-6-4-17;1-5(6(2)14)12-9-4-7(11)3-8(10)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;;/h6-7,14-16,19-21,33H,5,8-13,17H2,1-4H3,(H,28,30)(H,29,34);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-10,18H,3-6H2,1-2H3,(H,15,16);3-6,14H,1-2H3,(H,12,13);1-2H;5H,1-4H2;3-4,6H,5H2,1-2H3;1H;1H2/t19-,20-,21-;14-;9-,10-;5-,6-;;;3-,4-;;/m1011..1../s1
• InChIKey: WCIXQNUTYWPEGU-JZPNWQAFSA-N
• XLogP: 13.97
• TPSA: 323.93 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2069.02
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	11
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;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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 159081119) is (2R,3R)-3-aminobutan-2-ol;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@H](C)[C@@H](C)O)nc(N4CCOCC4)c3)c2)C1.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(N2CCOCC2)n1.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;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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 WCIXQNUTYWPEGU-JZPNWQAFSA-N. The full InChI is InChI=1S/C27H39N5O3.C20H28BF3N2O3.C13H20IN3O2.C9H12FIN2O.C5H2F2IN.C4H9NO.C4H11NO.ClH.H2S/c1-5-21-8-9-32(17-21)27(34)29-23-7-6-18(2)24(16-23)22-14-25(28-19(3)20(4)33)30-26(15-22)31-10-12-35-13-11-31;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;1-9(10(2)18)15-12-7-11(14)8-13(16-12)17-3-5-19-6-4-17;1-5(6(2)14)12-9-4-7(11)3-8(10)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;;/h6-7,14-16,19-21,33H,5,8-13,17H2,1-4H3,(H,28,30)(H,29,34);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-10,18H,3-6H2,1-2H3,(H,15,16);3-6,14H,1-2H3,(H,12,13);1-2H;5H,1-4H2;3-4,6H,5H2,1-2H3;1H;1H2/t19-,20-,21-;14-;9-,10-;5-,6-;;;3-,4-;;/m1011..1../s1.

What are the key properties of (2R,3R)-3-aminobutan-2-ol;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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 2069.02 g/mol, XLogP of 13.97, 18 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-3-aminobutan-2-ol;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2R,3R)-3-[(6-fluoro-4-iodo-2-pyridinyl)amino]butan-2-ol;(2R,3R)-3-[(4-iodo-6-morpholin-4-yl-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 159081119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).