7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole

C18H13F2N5 — CID 59797075

IUPAC7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole
SMILESCc1nc(-c2cc(F)c3n[nH]c(/C=C/c4ccc(F)cc4)c3c2)n[nH]1
InChIInChI=1S/C18H13F2N5/c1-10-21-18(25-22-10)12-8-14-16(23-24-17(14)15(20)9-12)7-4-11-2-5-13(19)6-3-11/h2-9H,1H3,(H,23,24)(H,21,22,25)/b7-4+
InChIKeyDJGDJJZLJIXEDK-QPJJXVBHSA-N
MW337.33 g/mol
LogP4.11
Rot. Bonds3

About 7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole

7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole (PubChem CID 59797075) has the molecular formula C18H13F2N5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole.

Molecular Properties

Compound Name7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole
PubChem CID59797075
Molecular FormulaC18H13F2N5
Molecular Weight337.33 g/mol
Exact Mass337.11
IUPAC Name7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole
SMILESCc1nc(-c2cc(F)c3n[nH]c(/C=C/c4ccc(F)cc4)c3c2)n[nH]1
InChIInChI=1S/C18H13F2N5/c1-10-21-18(25-22-10)12-8-14-16(23-24-17(14)15(20)9-12)7-4-11-2-5-13(19)6-3-11/h2-9H,1H3,(H,23,24)(H,21,22,25)/b7-4+
InChIKeyDJGDJJZLJIXEDK-QPJJXVBHSA-N
XLogP4.11
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole with MolForge

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Related Compounds

1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine
CID 59796927
2-[3-[7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylethanamine
CID 72564436
4-[3-[7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylbutan-2-amine
CID 68933053
1-[5-[7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 68930812
7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole
CID 68932417
7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazol-5-amine
CID 68926886
7-fluoro-3-(2-pyridin-2-ylethenyl)-2H-indazol-5-amine
CID 68932337
4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
CID 162721186
4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole
CID 162281204
2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine
CID 71426490
3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole
CID 50962372
2-[2-(4-fluorophenyl)ethenyl]-6-[2-[6-[2-(4-fluorophenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene
CID 72534274

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole?
The IUPAC name of 7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole (CID 59797075) is 7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole.
What is the SMILES notation for 7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole?
The canonical SMILES for 7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole is Cc1nc(-c2cc(F)c3n[nH]c(/C=C/c4ccc(F)cc4)c3c2)n[nH]1.
What is the InChIKey of 7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole?
The InChIKey is DJGDJJZLJIXEDK-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H13F2N5/c1-10-21-18(25-22-10)12-8-14-16(23-24-17(14)15(20)9-12)7-4-11-2-5-13(19)6-3-11/h2-9H,1H3,(H,23,24)(H,21,22,25)/b7-4+.
What are the key properties of 7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole?
7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole has a molecular weight of 337.33 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole is sourced from PubChem (CID 59797075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).