3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole

C21H14F3N3 — CID 175206002

IUPAC3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole
SMILESFc1cc(Cc2ccc3n[nH]c(C=Cc4ccccn4)c3c2)cc(F)c1F
InChIInChI=1S/C21H14F3N3/c22-17-11-14(12-18(23)21(17)24)9-13-4-6-19-16(10-13)20(27-26-19)7-5-15-3-1-2-8-25-15/h1-8,10-12H,9H2,(H,26,27)
InChIKeyWKAHQTDDFJRGTJ-UHFFFAOYSA-N
MW365.36 g/mol
LogP5.14
Rot. Bonds4

About 3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole

3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole (PubChem CID 175206002) has the molecular formula C21H14F3N3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole
PubChem CID175206002
Molecular FormulaC21H14F3N3
Molecular Weight365.36 g/mol
Exact Mass365.11
IUPAC Name3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole
SMILESFc1cc(Cc2ccc3n[nH]c(C=Cc4ccccn4)c3c2)cc(F)c1F
InChIInChI=1S/C21H14F3N3/c22-17-11-14(12-18(23)21(17)24)9-13-4-6-19-16(10-13)20(27-26-19)7-5-15-3-1-2-8-25-15/h1-8,10-12H,9H2,(H,26,27)
InChIKeyWKAHQTDDFJRGTJ-UHFFFAOYSA-N
XLogP5.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.36
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[(3,5-difluorophenyl)methyl]-3-(2-pyridin-2-ylethenyl)-2H-indazole
CID 175367489
5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 156734155
3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline
CID 156734142
3-(2-pyridin-2-ylethynyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole
CID 156734132
5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole
CID 156734081
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-pyridin-2-ylethenyl)-2H-indazol-5-amine
CID 175202526
1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea
CID 175206038
7-fluoro-3-(2-pyridin-2-ylethenyl)-2H-indazol-5-amine
CID 68932337
5-fluoro-N-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]pyridine-3-sulfonamide
CID 175198315
1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone
CID 123456736
2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine
CID 66775546
5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole;5-[(3-isocyanophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;5-[(3-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole;bis(5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole)
CID 167627549

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole?
The IUPAC name of 3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole (CID 175206002) is 3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole.
What is the SMILES notation for 3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole?
The canonical SMILES for 3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole is Fc1cc(Cc2ccc3n[nH]c(C=Cc4ccccn4)c3c2)cc(F)c1F.
What is the InChIKey of 3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole?
The InChIKey is WKAHQTDDFJRGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3/c22-17-11-14(12-18(23)21(17)24)9-13-4-6-19-16(10-13)20(27-26-19)7-5-15-3-1-2-8-25-15/h1-8,10-12H,9H2,(H,26,27).
What are the key properties of 3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole?
3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole has a molecular weight of 365.36 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole is sourced from PubChem (CID 175206002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).