7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol

C22H17FN4O — CID 123271558

IUPAC7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol
SMILESOC1Cc2cc(-c3ccc(-c4ccc(-n5cncn5)cc4)cc3)cc(F)c2N1
InChIInChI=1S/C22H17FN4O/c23-20-10-17(9-18-11-21(28)26-22(18)20)16-3-1-14(2-4-16)15-5-7-19(8-6-15)27-13-24-12-25-27/h1-10,12-13,21,26,28H,11H2
InChIKeyUFBDRTJSIWWSAE-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.03
Rot. Bonds3

About 7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol

7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol (PubChem CID 123271558) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol.

Molecular Properties

Compound Name7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol
PubChem CID123271558
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol
SMILESOC1Cc2cc(-c3ccc(-c4ccc(-n5cncn5)cc4)cc3)cc(F)c2N1
InChIInChI=1S/C22H17FN4O/c23-20-10-17(9-18-11-21(28)26-22(18)20)16-3-1-14(2-4-16)15-5-7-19(8-6-15)27-13-24-12-25-27/h1-10,12-13,21,26,28H,11H2
InChIKeyUFBDRTJSIWWSAE-UHFFFAOYSA-N
XLogP4.03
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol with MolForge

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Related Compounds

3-[4-[[1-(3,5-Difluorophenyl)-1,2,4-triazol-3-yl]-hydroxyamino]-3-methylphenyl]piperidin-4-ol
CID 138684088
1-(4-Fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol
CID 111466363
1-(4-Fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propan-1-ol
CID 111466930
1-(2,6-Difluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol
CID 111467203
[2-Fluoro-5-[[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]phenyl]methanol
CID 112415274
[3-[(4-Fluorophenyl)methyl]-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol
CID 126804746
2-[4-[[3-Methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol
CID 71972836
2-(4-Ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol
CID 109380340
1-(3-Hydroxy-2-phenylpropyl)-2-methyl-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 109408808
1-(3-Hydroxy-2-phenylpropyl)-2-methyl-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 109408809
1-Ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 109409524
1-Ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 109409525

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol?
The IUPAC name of 7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol (CID 123271558) is 7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol.
What is the SMILES notation for 7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol?
The canonical SMILES for 7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol is OC1Cc2cc(-c3ccc(-c4ccc(-n5cncn5)cc4)cc3)cc(F)c2N1.
What is the InChIKey of 7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol?
The InChIKey is UFBDRTJSIWWSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c23-20-10-17(9-18-11-21(28)26-22(18)20)16-3-1-14(2-4-16)15-5-7-19(8-6-15)27-13-24-12-25-27/h1-10,12-13,21,26,28H,11H2.
What are the key properties of 7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol?
7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol has a molecular weight of 372.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[4-[4-(1,2,4-triazol-1-yl)phenyl]phenyl]-2,3-dihydro-1H-indol-2-ol is sourced from PubChem (CID 123271558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).