(5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine

C114H136BBrF18N12O17S — CID 157395250

IUPAC(5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine
SMILESCC1(C)O[C@H](c2ccc(-c3ccc(CNCCCF)nc3)cc2)[C@@H](CF)N1C(=O)C(F)F.CC1(C)O[C@H](c2ccc(-c3ccc(CO)nc3)cc2)[C@@H](CF)N1C(=O)C(F)F.CC1(C)O[C@H](c2ccc(-c3ccc(COS(C)(=O)=O)nc3)cc2)[C@@H](CF)N1C(=O)C(F)F.CC1(C)O[C@H](c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](CF)N1C(=O)C(F)F.NCCCF.O=C(C[C@H](CF)[C@H](O)c1ccc(-c2ccc(CNCCCF)nc2)cc1)C(F)F.OCc1ccc(Br)cn1
InChIInChI=1S/C23H27F4N3O2.C21H24F4N2O2.C21H23F3N2O5S.C20H27BF3NO4.C20H21F3N2O3.C6H6BrNO.C3H8FN/c1-23(2)30(22(31)21(26)27)19(12-25)20(32-23)16-6-4-15(5-7-16)17-8-9-18(29-13-17)14-28-11-3-10-24;22-8-1-9-26-13-18-7-6-16(12-27-18)14-2-4-15(5-3-14)20(29)17(11-23)10-19(28)21(24)25;1-21(2)26(20(27)19(23)24)17(10-22)18(31-21)14-6-4-13(5-7-14)15-8-9-16(25-11-15)12-30-32(3,28)29;1-18(2)19(3,4)29-21(28-18)13-9-7-12(8-10-13)15-14(11-22)25(17(26)16(23)24)20(5,6)27-15;1-20(2)25(19(27)18(22)23)16(9-21)17(28-20)13-5-3-12(4-6-13)14-7-8-15(11-26)24-10-14;7-5-1-2-6(4-9)8-3-5;4-2-1-3-5/h4-9,13,19-21,28H,3,10-12,14H2,1-2H3;2-7,12,17,20-21,26,29H,1,8-11,13H2;4-9,11,17-19H,10,12H2,1-3H3;7-10,14-16H,11H2,1-6H3;3-8,10,16-18,26H,9,11H2,1-2H3;1-3,9H,4H2;1-3,5H2/t19-,20-;17-,20-;17-,18-;14-,15+;16-,17-;;/m11101../s1
InChIKeyBMMNENUTFHFCOR-VWJJUUORSA-N
MW2411.16 g/mol
LogP20.29
Rot. Bonds40

About (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine

(5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine (PubChem CID 157395250) has the molecular formula C114H136BBrF18N12O17S and a molecular weight of 2411.16 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine
PubChem CID157395250
Molecular FormulaC114H136BBrF18N12O17S
Molecular Weight2411.16 g/mol
Exact Mass2408.89
IUPAC Name(5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine
SMILESCC1(C)O[C@H](c2ccc(-c3ccc(CNCCCF)nc3)cc2)[C@@H](CF)N1C(=O)C(F)F.CC1(C)O[C@H](c2ccc(-c3ccc(CO)nc3)cc2)[C@@H](CF)N1C(=O)C(F)F.CC1(C)O[C@H](c2ccc(-c3ccc(COS(C)(=O)=O)nc3)cc2)[C@@H](CF)N1C(=O)C(F)F.CC1(C)O[C@H](c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](CF)N1C(=O)C(F)F.NCCCF.O=C(C[C@H](CF)[C@H](O)c1ccc(-c2ccc(CNCCCF)nc2)cc1)C(F)F.OCc1ccc(Br)cn1
InChIInChI=1S/C23H27F4N3O2.C21H24F4N2O2.C21H23F3N2O5S.C20H27BF3NO4.C20H21F3N2O3.C6H6BrNO.C3H8FN/c1-23(2)30(22(31)21(26)27)19(12-25)20(32-23)16-6-4-15(5-7-16)17-8-9-18(29-13-17)14-28-11-3-10-24;22-8-1-9-26-13-18-7-6-16(12-27-18)14-2-4-15(5-3-14)20(29)17(11-23)10-19(28)21(24)25;1-21(2)26(20(27)19(23)24)17(10-22)18(31-21)14-6-4-13(5-7-14)15-8-9-16(25-11-15)12-30-32(3,28)29;1-18(2)19(3,4)29-21(28-18)13-9-7-12(8-10-13)15-14(11-22)25(17(26)16(23)24)20(5,6)27-15;1-20(2)25(19(27)18(22)23)16(9-21)17(28-20)13-5-3-12(4-6-13)14-7-8-15(11-26)24-10-14;7-5-1-2-6(4-9)8-3-5;4-2-1-3-5/h4-9,13,19-21,28H,3,10-12,14H2,1-2H3;2-7,12,17,20-21,26,29H,1,8-11,13H2;4-9,11,17-19H,10,12H2,1-3H3;7-10,14-16H,11H2,1-6H3;3-8,10,16-18,26H,9,11H2,1-2H3;1-3,9H,4H2;1-3,5H2/t19-,20-;17-,20-;17-,18-;14-,15+;16-,17-;;/m11101../s1
InChIKeyBMMNENUTFHFCOR-VWJJUUORSA-N
XLogP20.29
TPSA372.28 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds40
Heavy Atoms164
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002411.16
LogP ≤ 520.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine?
The IUPAC name of (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine (CID 157395250) is (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine.
What is the SMILES notation for (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine?
The canonical SMILES for (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine is CC1(C)O[C@H](c2ccc(-c3ccc(CNCCCF)nc3)cc2)[C@@H](CF)N1C(=O)C(F)F.CC1(C)O[C@H](c2ccc(-c3ccc(CO)nc3)cc2)[C@@H](CF)N1C(=O)C(F)F.CC1(C)O[C@H](c2ccc(-c3ccc(COS(C)(=O)=O)nc3)cc2)[C@@H](CF)N1C(=O)C(F)F.CC1(C)O[C@H](c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](CF)N1C(=O)C(F)F.NCCCF.O=C(C[C@H](CF)[C@H](O)c1ccc(-c2ccc(CNCCCF)nc2)cc1)C(F)F.OCc1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine?
The InChIKey is BMMNENUTFHFCOR-VWJJUUORSA-N. The full InChI is InChI=1S/C23H27F4N3O2.C21H24F4N2O2.C21H23F3N2O5S.C20H27BF3NO4.C20H21F3N2O3.C6H6BrNO.C3H8FN/c1-23(2)30(22(31)21(26)27)19(12-25)20(32-23)16-6-4-15(5-7-16)17-8-9-18(29-13-17)14-28-11-3-10-24;22-8-1-9-26-13-18-7-6-16(12-27-18)14-2-4-15(5-3-14)20(29)17(11-23)10-19(28)21(24)25;1-21(2)26(20(27)19(23)24)17(10-22)18(31-21)14-6-4-13(5-7-14)15-8-9-16(25-11-15)12-30-32(3,28)29;1-18(2)19(3,4)29-21(28-18)13-9-7-12(8-10-13)15-14(11-22)25(17(26)16(23)24)20(5,6)27-15;1-20(2)25(19(27)18(22)23)16(9-21)17(28-20)13-5-3-12(4-6-13)14-7-8-15(11-26)24-10-14;7-5-1-2-6(4-9)8-3-5;4-2-1-3-5/h4-9,13,19-21,28H,3,10-12,14H2,1-2H3;2-7,12,17,20-21,26,29H,1,8-11,13H2;4-9,11,17-19H,10,12H2,1-3H3;7-10,14-16H,11H2,1-6H3;3-8,10,16-18,26H,9,11H2,1-2H3;1-3,9H,4H2;1-3,5H2/t19-,20-;17-,20-;17-,18-;14-,15+;16-,17-;;/m11101../s1.
What are the key properties of (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine?
(5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine has a molecular weight of 2411.16 g/mol, XLogP of 20.29, 40 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-1-[(4R,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;(4S,5S)-1,1-difluoro-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-5-hydroxypentan-2-one;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine is sourced from PubChem (CID 157395250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).