(2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol

C16H11F6N3O — CID 90252851

IUPAC(2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol
SMILESC[C@](O)(c1cncc(-n2nc(C(F)(F)F)c3ccccc32)c1)C(F)(F)F
InChIInChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1
InChIKeyJARSMHCNHDDFGP-AWEZNQCLSA-N
MW375.27 g/mol
LogP4.21
Rot. Bonds2

About (2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol

(2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol (PubChem CID 90252851) has the molecular formula C16H11F6N3O and a molecular weight of 375.27 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol
PubChem CID90252851
Molecular FormulaC16H11F6N3O
Molecular Weight375.27 g/mol
Exact Mass375.08
IUPAC Name(2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol
SMILESC[C@](O)(c1cncc(-n2nc(C(F)(F)F)c3ccccc32)c1)C(F)(F)F
InChIInChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1
InChIKeyJARSMHCNHDDFGP-AWEZNQCLSA-N
XLogP4.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol (CID 90252851) is (2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol is C[C@](O)(c1cncc(-n2nc(C(F)(F)F)c3ccccc32)c1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol?
The InChIKey is JARSMHCNHDDFGP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol?
(2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol has a molecular weight of 375.27 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 90252851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).