(2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol

C23H20F3N3O2 — CID 54767679

IUPAC(2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol
SMILESN[C@H](CO)Cc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)16-5-10-22(28-12-16)31-19-8-6-18(7-9-19)29-13-15(11-17(27)14-30)20-3-1-2-4-21(20)29/h1-10,12-13,17,30H,11,14,27H2/t17-/m0/s1
InChIKeyYDFPJBVSTDCSPR-KRWDZBQOSA-N
MW427.43 g/mol
LogP4.70
Rot. Bonds6

About (2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol

(2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol (PubChem CID 54767679) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is (2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol
PubChem CID54767679
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name(2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol
SMILESN[C@H](CO)Cc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)16-5-10-22(28-12-16)31-19-8-6-18(7-9-19)29-13-15(11-17(27)14-30)20-3-1-2-4-21(20)29/h1-10,12-13,17,30H,11,14,27H2/t17-/m0/s1
InChIKeyYDFPJBVSTDCSPR-KRWDZBQOSA-N
XLogP4.70
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol?
The IUPAC name of (2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol (CID 54767679) is (2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol is N[C@H](CO)Cc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12.
What is the InChIKey of (2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol?
The InChIKey is YDFPJBVSTDCSPR-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)16-5-10-22(28-12-16)31-19-8-6-18(7-9-19)29-13-15(11-17(27)14-30)20-3-1-2-4-21(20)29/h1-10,12-13,17,30H,11,14,27H2/t17-/m0/s1.
What are the key properties of (2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol?
(2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol has a molecular weight of 427.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propan-1-ol is sourced from PubChem (CID 54767679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).