(5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene]

C25H23FN2 — CID 163624309

IUPAC(5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene]
SMILESCc1ccc(C2=CCCC[C@]23C=Cc2c(cnn2-c2ccc(F)cc2)C3)cc1
InChIInChI=1S/C25H23FN2/c1-18-5-7-19(8-6-18)23-4-2-3-14-25(23)15-13-24-20(16-25)17-27-28(24)22-11-9-21(26)10-12-22/h4-13,15,17H,2-3,14,16H2,1H3/t25-/m1/s1
InChIKeyHQTZTSAIAANKKB-RUZDIDTESA-N
MW370.47 g/mol
LogP6.14
Rot. Bonds2

About (5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene]

(5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene] (PubChem CID 163624309) has the molecular formula C25H23FN2 and a molecular weight of 370.47 g/mol. Its IUPAC name is (5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene].

Molecular Properties

Compound Name(5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene]
PubChem CID163624309
Molecular FormulaC25H23FN2
Molecular Weight370.47 g/mol
Exact Mass370.18
IUPAC Name(5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene]
SMILESCc1ccc(C2=CCCC[C@]23C=Cc2c(cnn2-c2ccc(F)cc2)C3)cc1
InChIInChI=1S/C25H23FN2/c1-18-5-7-19(8-6-18)23-4-2-3-14-25(23)15-13-24-20(16-25)17-27-28(24)22-11-9-21(26)10-12-22/h4-13,15,17H,2-3,14,16H2,1H3/t25-/m1/s1
InChIKeyHQTZTSAIAANKKB-RUZDIDTESA-N
XLogP6.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS)-1-(4-fluorophenyl)-4a,7-dimethyl-4H-cyclopenta[f]indazol-5-one
CID 58713685
(4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane]
CID 58713709
N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 66919657
N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide
CID 66919372
(4'aS,6R)-1'-(4-fluorophenyl)-3,4'a-dimethylspiro[2,5-dihydropyran-6,5'-4,6,7,8-tetrahydrobenzo[f]indazole]
CID 11233850
1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol
CID 66919562
(4aR)-1-(4-fluorophenyl)-4a-methyl-4,6,7,8-tetrahydrobenzo[f]indazol-5-one
CID 58980267
1-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-4a-(pyrrolidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 67096809
(1R,6R)-13-(4-methylphenyl)-2,4,13,14-tetrazapentacyclo[8.7.0.01,6.02,6.012,16]heptadeca-10,12(16),14-trien-3-one
CID 89128932
5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole
CID 66919437
(4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole]
CID 58713755
(1R)-2-[(5R)-4a-methyl-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-1-(4-fluorophenyl)ethanol
CID 142819570

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene]?
The IUPAC name of (5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene] (CID 163624309) is (5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene].
What is the SMILES notation for (5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene]?
The canonical SMILES for (5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene] is Cc1ccc(C2=CCCC[C@]23C=Cc2c(cnn2-c2ccc(F)cc2)C3)cc1.
What is the InChIKey of (5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene]?
The InChIKey is HQTZTSAIAANKKB-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23FN2/c1-18-5-7-19(8-6-18)23-4-2-3-14-25(23)15-13-24-20(16-25)17-27-28(24)22-11-9-21(26)10-12-22/h4-13,15,17H,2-3,14,16H2,1H3/t25-/m1/s1.
What are the key properties of (5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene]?
(5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene] has a molecular weight of 370.47 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene] is sourced from PubChem (CID 163624309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).