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

C26H29FN2O — CID 66919562

IUPAC1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol
SMILESCC1(CC(O)CC(C)(C)c2ccccc2)C=Cc2c(cnn2-c2ccc(F)cc2)C1
InChIInChI=1S/C26H29FN2O/c1-25(2,20-7-5-4-6-8-20)16-23(30)17-26(3)14-13-24-19(15-26)18-28-29(24)22-11-9-21(27)10-12-22/h4-14,18,23,30H,15-17H2,1-3H3
InChIKeyXVRSAGYGQPUPPC-UHFFFAOYSA-N
MW404.53 g/mol
LogP5.71
Rot. Bonds6

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

1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol (PubChem CID 66919562) has the molecular formula C26H29FN2O and a molecular weight of 404.53 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol
PubChem CID66919562
Molecular FormulaC26H29FN2O
Molecular Weight404.53 g/mol
Exact Mass404.23
IUPAC Name1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol
SMILESCC1(CC(O)CC(C)(C)c2ccccc2)C=Cc2c(cnn2-c2ccc(F)cc2)C1
InChIInChI=1S/C26H29FN2O/c1-25(2,20-7-5-4-6-8-20)16-23(30)17-26(3)14-13-24-19(15-26)18-28-29(24)22-11-9-21(27)10-12-22/h4-14,18,23,30H,15-17H2,1-3H3
InChIKeyXVRSAGYGQPUPPC-UHFFFAOYSA-N
XLogP5.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol (CID 66919562) is 1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol is CC1(CC(O)CC(C)(C)c2ccccc2)C=Cc2c(cnn2-c2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol?
The InChIKey is XVRSAGYGQPUPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O/c1-25(2,20-7-5-4-6-8-20)16-23(30)17-26(3)14-13-24-19(15-26)18-28-29(24)22-11-9-21(27)10-12-22/h4-14,18,23,30H,15-17H2,1-3H3.
What are the key properties of 1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol?
1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol has a molecular weight of 404.53 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol is sourced from PubChem (CID 66919562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).