1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol

C19H15F2N5O — CID 59797140

IUPAC1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol
SMILESCC(O)c1nc(-c2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)n[nH]1
InChIInChI=1S/C19H15F2N5O/c1-10(27)18-22-19(26-25-18)13-8-14-16(23-24-17(14)9-15(13)21)7-4-11-2-5-12(20)6-3-11/h2-10,27H,1H3,(H,23,24)(H,22,25,26)/b7-4+
InChIKeyAZBVKFSVXYFXQQ-QPJJXVBHSA-N
MW367.36 g/mol
LogP3.85
Rot. Bonds4

About 1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol

1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol (PubChem CID 59797140) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is 1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol
PubChem CID59797140
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol
SMILESCC(O)c1nc(-c2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)n[nH]1
InChIInChI=1S/C19H15F2N5O/c1-10(27)18-22-19(26-25-18)13-8-14-16(23-24-17(14)9-15(13)21)7-4-11-2-5-12(20)6-3-11/h2-10,27H,1H3,(H,23,24)(H,22,25,26)/b7-4+
InChIKeyAZBVKFSVXYFXQQ-QPJJXVBHSA-N
XLogP3.85
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol?
The IUPAC name of 1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol (CID 59797140) is 1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol?
The canonical SMILES for 1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol is CC(O)c1nc(-c2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)n[nH]1.
What is the InChIKey of 1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol?
The InChIKey is AZBVKFSVXYFXQQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H15F2N5O/c1-10(27)18-22-19(26-25-18)13-8-14-16(23-24-17(14)9-15(13)21)7-4-11-2-5-12(20)6-3-11/h2-10,27H,1H3,(H,23,24)(H,22,25,26)/b7-4+.
What are the key properties of 1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol?
1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol has a molecular weight of 367.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol is sourced from PubChem (CID 59797140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).