(2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol

C25H27FN2O — CID 66919420

IUPAC(2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol
SMILESCC1(C[C@](C)(O)CCc2ccccc2)C=Cc2c(cnn2-c2ccc(F)cc2)C1
InChIInChI=1S/C25H27FN2O/c1-24(18-25(2,29)15-12-19-6-4-3-5-7-19)14-13-23-20(16-24)17-27-28(23)22-10-8-21(26)9-11-22/h3-11,13-14,17,29H,12,15-16,18H2,1-2H3/t24?,25-/m1/s1
InChIKeyOVGMOHBTZNEVGE-WUBHUQEYSA-N
MW390.50 g/mol
LogP5.36
Rot. Bonds6

About (2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol

(2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol (PubChem CID 66919420) has the molecular formula C25H27FN2O and a molecular weight of 390.50 g/mol. Its IUPAC name is (2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol
PubChem CID66919420
Molecular FormulaC25H27FN2O
Molecular Weight390.50 g/mol
Exact Mass390.21
IUPAC Name(2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol
SMILESCC1(C[C@](C)(O)CCc2ccccc2)C=Cc2c(cnn2-c2ccc(F)cc2)C1
InChIInChI=1S/C25H27FN2O/c1-24(18-25(2,29)15-12-19-6-4-3-5-7-19)14-13-23-20(16-24)17-27-28(23)22-10-8-21(26)9-11-22/h3-11,13-14,17,29H,12,15-16,18H2,1-2H3/t24?,25-/m1/s1
InChIKeyOVGMOHBTZNEVGE-WUBHUQEYSA-N
XLogP5.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide
CID 66919372
1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol
CID 66919562
5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole
CID 66919437
N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 66919657
1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone
CID 66919599
(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
CID 15605657
(4aS)-1-(4-fluorophenyl)-4a-methyl-6-(2-phenylethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 163638478
(4aS)-6-benzyl-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 58333317
6-benzyl-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 67096931
N-benzyl-2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanamine
CID 66919606
1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole
CID 66919534
(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol
CID 173382158

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol?
The IUPAC name of (2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol (CID 66919420) is (2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol.
What is the SMILES notation for (2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol?
The canonical SMILES for (2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol is CC1(C[C@](C)(O)CCc2ccccc2)C=Cc2c(cnn2-c2ccc(F)cc2)C1.
What is the InChIKey of (2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol?
The InChIKey is OVGMOHBTZNEVGE-WUBHUQEYSA-N. The full InChI is InChI=1S/C25H27FN2O/c1-24(18-25(2,29)15-12-19-6-4-3-5-7-19)14-13-23-20(16-24)17-27-28(23)22-10-8-21(26)9-11-22/h3-11,13-14,17,29H,12,15-16,18H2,1-2H3/t24?,25-/m1/s1.
What are the key properties of (2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol?
(2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol has a molecular weight of 390.50 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol is sourced from PubChem (CID 66919420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).