(2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate

C72H59F9N8O13 — CID 158687229

About (2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate

(2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate (PubChem CID 158687229) has the molecular formula C72H59F9N8O13 and a molecular weight of 1415.29 g/mol. Its IUPAC name is (2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate.

Molecular Properties

• Compound Name: (2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate
• PubChem CID: 158687229
• Molecular Formula: C72H59F9N8O13
• Molecular Weight: 1415.29 g/mol
• Exact Mass: 1414.41
• IUPAC Name: (2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate
• SMILES: CCOC(=O)[C@@H](O)[C@H](O)c1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12.CNC(=O)[C@@H](O)[C@H](O)c1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12.NC(=O)[C@@H](O)[C@H](O)c1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12
• InChI: InChI=1S/C25H21F3N2O5.C24H20F3N3O4.C23H18F3N3O4/c1-2-34-24(33)23(32)22(31)19-14-30(20-6-4-3-5-18(19)20)16-8-10-17(11-9-16)35-21-12-7-15(13-29-21)25(26,27)28;1-28-23(33)22(32)21(31)18-13-30(19-5-3-2-4-17(18)19)15-7-9-16(10-8-15)34-20-11-6-14(12-29-20)24(25,26)27;24-23(25,26)13-5-10-19(28-11-13)33-15-8-6-14(7-9-15)29-12-17(20(30)21(31)22(27)32)16-3-1-2-4-18(16)29/h3-14,22-23,31-32H,2H2,1H3;2-13,21-22,31-32H,1H3,(H,28,33);1-12,20-21,30-31H,(H2,27,32)/t22-,23+;21-,22+;20-,21+/m111/s1
• InChIKey: IFWVNNVEFUPASC-NYEUGYHGSA-N
• XLogP: 12.49
• TPSA: 301.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1415.29
LogP ≤ 5	12.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate?

The IUPAC name of (2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate (CID 158687229) is (2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate.

What is the SMILES notation for (2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate?

The canonical SMILES for (2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate is CCOC(=O)[C@@H](O)[C@H](O)c1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12.CNC(=O)[C@@H](O)[C@H](O)c1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12.NC(=O)[C@@H](O)[C@H](O)c1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12.

What is the InChIKey of (2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate?

The InChIKey is IFWVNNVEFUPASC-NYEUGYHGSA-N. The full InChI is InChI=1S/C25H21F3N2O5.C24H20F3N3O4.C23H18F3N3O4/c1-2-34-24(33)23(32)22(31)19-14-30(20-6-4-3-5-18(19)20)16-8-10-17(11-9-16)35-21-12-7-15(13-29-21)25(26,27)28;1-28-23(33)22(32)21(31)18-13-30(19-5-3-2-4-17(18)19)15-7-9-16(10-8-15)34-20-11-6-14(12-29-20)24(25,26)27;24-23(25,26)13-5-10-19(28-11-13)33-15-8-6-14(7-9-15)29-12-17(20(30)21(31)22(27)32)16-3-1-2-4-18(16)29/h3-14,22-23,31-32H,2H2,1H3;2-13,21-22,31-32H,1H3,(H,28,33);1-12,20-21,30-31H,(H2,27,32)/t22-,23+;21-,22+;20-,21+/m111/s1.

What are the key properties of (2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate?

(2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate has a molecular weight of 1415.29 g/mol, XLogP of 12.49, 19 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-2,3-dihydroxy-N-methyl-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;(2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanamide;ethyl (2S,3R)-2,3-dihydroxy-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propanoate is sourced from PubChem (CID 158687229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).