(1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol

C24H23FN2O — CID 155520306

IUPAC(1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol
SMILESO[C@@]1(c2ccccc2)CCCC[C@@]12C=Cc1c(cnn1-c1ccc(F)cc1)C2
InChIInChI=1S/C24H23FN2O/c25-20-8-10-21(11-9-20)27-22-12-15-23(16-18(22)17-26-27)13-4-5-14-24(23,28)19-6-2-1-3-7-19/h1-3,6-12,15,17,28H,4-5,13-14,16H2/t23-,24+/m0/s1
InChIKeyIDEHKJXWAPTFBV-BJKOFHAPSA-N
MW374.46 g/mol
LogP5.03
Rot. Bonds2

About (1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol

(1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol (PubChem CID 155520306) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is (1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol.

Molecular Properties

Compound Name(1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol
PubChem CID155520306
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name(1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol
SMILESO[C@@]1(c2ccccc2)CCCC[C@@]12C=Cc1c(cnn1-c1ccc(F)cc1)C2
InChIInChI=1S/C24H23FN2O/c25-20-8-10-21(11-9-20)27-22-12-15-23(16-18(22)17-26-27)13-4-5-14-24(23,28)19-6-2-1-3-7-19/h1-3,6-12,15,17,28H,4-5,13-14,16H2/t23-,24+/m0/s1
InChIKeyIDEHKJXWAPTFBV-BJKOFHAPSA-N
XLogP5.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol?
The IUPAC name of (1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol (CID 155520306) is (1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol.
What is the SMILES notation for (1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol?
The canonical SMILES for (1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol is O[C@@]1(c2ccccc2)CCCC[C@@]12C=Cc1c(cnn1-c1ccc(F)cc1)C2.
What is the InChIKey of (1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol?
The InChIKey is IDEHKJXWAPTFBV-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H23FN2O/c25-20-8-10-21(11-9-20)27-22-12-15-23(16-18(22)17-26-27)13-4-5-14-24(23,28)19-6-2-1-3-7-19/h1-3,6-12,15,17,28H,4-5,13-14,16H2/t23-,24+/m0/s1.
What are the key properties of (1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol?
(1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol has a molecular weight of 374.46 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol is sourced from PubChem (CID 155520306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).