(3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol

C116H85F25N20O30 — CID 162205751

IUPAC(3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol
SMILESCO.COc1ccc(C(=O)C[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1[N+](=O)[O-].COc1ccc(C)nc1[N+](=O)[O-].COc1ccc(OC=O)nc1[N+](=O)[O-].Cc1ccc(O)c([N+](=O)[O-])n1.N[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F.Nc1nc(C(=O)C[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)ccc1O.O=C(C[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1ccc(O)c([N+](=O)[O-])n1.O=C(C[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1ccc2oc(=O)[nH]c2n1
InChIInChI=1S/C21H14F5N3O5.C21H12F5N3O4.C20H12F5N3O5.C20H14F5N3O3.C13H9F5N2O.C7H6N2O5.C7H8N2O3.C6H6N2O3.CH4O/c1-33-18-7-5-15(28-20(18)29(31)32)16(30)10-12(19-13(22)3-2-8-27-19)11-4-6-17(14(23)9-11)34-21(24,25)26;22-12-2-1-7-27-18(12)11(10-3-5-16(13(23)8-10)33-21(24,25)26)9-15(30)14-4-6-17-19(28-14)29-20(31)32-17;21-12-2-1-7-26-18(12)11(10-3-6-17(13(22)8-10)33-20(23,24)25)9-16(30)14-4-5-15(29)19(27-14)28(31)32;21-12-2-1-7-27-18(12)11(9-16(30)14-4-5-15(29)19(26)28-14)10-3-6-17(13(22)8-10)31-20(23,24)25;14-8-2-1-5-20-12(8)11(19)7-3-4-10(9(15)6-7)21-13(16,17)18;1-13-5-2-3-6(14-4-10)8-7(5)9(11)12;1-5-3-4-6(12-2)7(8-5)9(10)11;1-4-2-3-5(9)6(7-4)8(10)11;1-2/h2-9,12H,10H2,1H3;1-8,11H,9H2,(H,28,29,31);1-8,11,29H,9H2;1-8,11,29H,9H2,(H2,26,28);1-6,11H,19H2;2-4H,1H3;3-4H,1-2H3;2-3,9H,1H3;2H,1H3/t12-;4*11-;;;;/m00000..../s1
InChIKeyZSDZFLZOQBXMAD-AYMYHWCDSA-N
MW2714.02 g/mol
LogP24.25
Rot. Bonds37

About (3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol

(3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol (PubChem CID 162205751) has the molecular formula C116H85F25N20O30 and a molecular weight of 2714.02 g/mol. Its IUPAC name is (3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol.

Molecular Properties

Compound Name(3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol
PubChem CID162205751
Molecular FormulaC116H85F25N20O30
Molecular Weight2714.02 g/mol
Exact Mass2712.53
IUPAC Name(3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol
SMILESCO.COc1ccc(C(=O)C[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1[N+](=O)[O-].COc1ccc(C)nc1[N+](=O)[O-].COc1ccc(OC=O)nc1[N+](=O)[O-].Cc1ccc(O)c([N+](=O)[O-])n1.N[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F.Nc1nc(C(=O)C[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)ccc1O.O=C(C[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1ccc(O)c([N+](=O)[O-])n1.O=C(C[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1ccc2oc(=O)[nH]c2n1
InChIInChI=1S/C21H14F5N3O5.C21H12F5N3O4.C20H12F5N3O5.C20H14F5N3O3.C13H9F5N2O.C7H6N2O5.C7H8N2O3.C6H6N2O3.CH4O/c1-33-18-7-5-15(28-20(18)29(31)32)16(30)10-12(19-13(22)3-2-8-27-19)11-4-6-17(14(23)9-11)34-21(24,25)26;22-12-2-1-7-27-18(12)11(10-3-5-16(13(23)8-10)33-21(24,25)26)9-15(30)14-4-6-17-19(28-14)29-20(31)32-17;21-12-2-1-7-26-18(12)11(10-3-6-17(13(22)8-10)33-20(23,24)25)9-16(30)14-4-5-15(29)19(27-14)28(31)32;21-12-2-1-7-27-18(12)11(9-16(30)14-4-5-15(29)19(26)28-14)10-3-6-17(13(22)8-10)31-20(23,24)25;14-8-2-1-5-20-12(8)11(19)7-3-4-10(9(15)6-7)21-13(16,17)18;1-13-5-2-3-6(14-4-10)8-7(5)9(11)12;1-5-3-4-6(12-2)7(8-5)9(10)11;1-4-2-3-5(9)6(7-4)8(10)11;1-2/h2-9,12H,10H2,1H3;1-8,11H,9H2,(H,28,29,31);1-8,11,29H,9H2;1-8,11,29H,9H2,(H2,26,28);1-6,11H,19H2;2-4H,1H3;3-4H,1-2H3;2-3,9H,1H3;2H,1H3/t12-;4*11-;;;;/m00000..../s1
InChIKeyZSDZFLZOQBXMAD-AYMYHWCDSA-N
XLogP24.25
TPSA717.76 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds37
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002714.02
LogP ≤ 524.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol 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

(3S)-1-(4-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-1-(4-amino-5-methoxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;6-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-1H-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 158271991
(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol;hydrochloride
CID 158864802
(3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol;hydrochloride
CID 160360814
(3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 161572909

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol?
The IUPAC name of (3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol (CID 162205751) is (3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol.
What is the SMILES notation for (3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol?
The canonical SMILES for (3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol is CO.COc1ccc(C(=O)C[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)nc1[N+](=O)[O-].COc1ccc(C)nc1[N+](=O)[O-].COc1ccc(OC=O)nc1[N+](=O)[O-].Cc1ccc(O)c([N+](=O)[O-])n1.N[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F.Nc1nc(C(=O)C[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)ccc1O.O=C(C[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1ccc(O)c([N+](=O)[O-])n1.O=C(C[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1ccc2oc(=O)[nH]c2n1.
What is the InChIKey of (3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol?
The InChIKey is ZSDZFLZOQBXMAD-AYMYHWCDSA-N. The full InChI is InChI=1S/C21H14F5N3O5.C21H12F5N3O4.C20H12F5N3O5.C20H14F5N3O3.C13H9F5N2O.C7H6N2O5.C7H8N2O3.C6H6N2O3.CH4O/c1-33-18-7-5-15(28-20(18)29(31)32)16(30)10-12(19-13(22)3-2-8-27-19)11-4-6-17(14(23)9-11)34-21(24,25)26;22-12-2-1-7-27-18(12)11(10-3-5-16(13(23)8-10)33-21(24,25)26)9-15(30)14-4-6-17-19(28-14)29-20(31)32-17;21-12-2-1-7-26-18(12)11(10-3-6-17(13(22)8-10)33-20(23,24)25)9-16(30)14-4-5-15(29)19(27-14)28(31)32;21-12-2-1-7-27-18(12)11(9-16(30)14-4-5-15(29)19(26)28-14)10-3-6-17(13(22)8-10)31-20(23,24)25;14-8-2-1-5-20-12(8)11(19)7-3-4-10(9(15)6-7)21-13(16,17)18;1-13-5-2-3-6(14-4-10)8-7(5)9(11)12;1-5-3-4-6(12-2)7(8-5)9(10)11;1-4-2-3-5(9)6(7-4)8(10)11;1-2/h2-9,12H,10H2,1H3;1-8,11H,9H2,(H,28,29,31);1-8,11,29H,9H2;1-8,11,29H,9H2,(H2,26,28);1-6,11H,19H2;2-4H,1H3;3-4H,1-2H3;2-3,9H,1H3;2H,1H3/t12-;4*11-;;;;/m00000..../s1.
What are the key properties of (3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol?
(3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol has a molecular weight of 2714.02 g/mol, XLogP of 24.25, 37 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol is sourced from PubChem (CID 162205751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).