4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole

C28H21FN4 — CID 142763269

IUPAC4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole
SMILESCC(c1ccccc1)n1ncc2c(-c3ccc(F)cc3)c(-c3ccc4[nH]ncc4c3)ccc21
InChIInChI=1S/C28H21FN4/c1-18(19-5-3-2-4-6-19)33-27-14-12-24(21-9-13-26-22(15-21)16-30-32-26)28(25(27)17-31-33)20-7-10-23(29)11-8-20/h2-18H,1H3,(H,30,32)
InChIKeyKUYSRLCPCJXRMN-UHFFFAOYSA-N
MW432.50 g/mol
LogP6.99
Rot. Bonds4

About 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole

4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole (PubChem CID 142763269) has the molecular formula C28H21FN4 and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole
PubChem CID142763269
Molecular FormulaC28H21FN4
Molecular Weight432.50 g/mol
Exact Mass432.18
IUPAC Name4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole
SMILESCC(c1ccccc1)n1ncc2c(-c3ccc(F)cc3)c(-c3ccc4[nH]ncc4c3)ccc21
InChIInChI=1S/C28H21FN4/c1-18(19-5-3-2-4-6-19)33-27-14-12-24(21-9-13-26-22(15-21)16-30-32-26)28(25(27)17-31-33)20-7-10-23(29)11-8-20/h2-18H,1H3,(H,30,32)
InChIKeyKUYSRLCPCJXRMN-UHFFFAOYSA-N
XLogP6.99
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 150939945
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-N-methyl-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
CID 162675739
5-(1-Benzyl-1h-1,2,3-triazol-4-yl)-1h-indazole
CID 25165861
5-(1-(3-methylbenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166053
5-(1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166056
5-(1-(3-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166057
5-(1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166058
5-(pyridin-4-yl)-6-(pyrrolidin-1-yl)-3-styryl-1H-indazole
CID 46886344
4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735375
2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
CID 118959991
4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
CID 146433462

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole (CID 142763269) is 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole is CC(c1ccccc1)n1ncc2c(-c3ccc(F)cc3)c(-c3ccc4[nH]ncc4c3)ccc21.
What is the InChIKey of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole?
The InChIKey is KUYSRLCPCJXRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN4/c1-18(19-5-3-2-4-6-19)33-27-14-12-24(21-9-13-26-22(15-21)16-30-32-26)28(25(27)17-31-33)20-7-10-23(29)11-8-20/h2-18H,1H3,(H,30,32).
What are the key properties of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole?
4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole has a molecular weight of 432.50 g/mol, XLogP of 6.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(1-phenylethyl)indazole is sourced from PubChem (CID 142763269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).