1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol

C27H24N2O2 — CID 143371944

IUPAC1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol
SMILESCOc1ccc(-n2ncc3cc(CC(C)(O)c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C27H24N2O2/c1-27(30,25-9-5-7-20-6-3-4-8-24(20)25)17-19-10-15-26-21(16-19)18-28-29(26)22-11-13-23(31-2)14-12-22/h3-16,18,30H,17H2,1-2H3
InChIKeyOLMTZMLHZKCCBW-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.64
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol

1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol (PubChem CID 143371944) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol
PubChem CID143371944
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol
SMILESCOc1ccc(-n2ncc3cc(CC(C)(O)c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C27H24N2O2/c1-27(30,25-9-5-7-20-6-3-4-8-24(20)25)17-19-10-15-26-21(16-19)18-28-29(26)22-11-13-23(31-2)14-12-22/h3-16,18,30H,17H2,1-2H3
InChIKeyOLMTZMLHZKCCBW-UHFFFAOYSA-N
XLogP5.64
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol
CID 143372409
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980493
1-(4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 55169667
fluoroform;1-[1-(3-fluorophenyl)indazol-5-yl]-1-naphthalen-1-ylethanol
CID 143372248
[1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol
CID 122424160
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82527913
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
CID 15980497
[1-(4-methylphenyl)indazol-5-yl]methanol
CID 134163742
1-(1-phenylindazol-5-yl)propan-2-ol
CID 69178266
1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol
CID 151959863
1-[6-bromo-1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
CID 71089872
2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one
CID 3079200

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol?
The IUPAC name of 1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol (CID 143371944) is 1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol?
The canonical SMILES for 1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol is COc1ccc(-n2ncc3cc(CC(C)(O)c4cccc5ccccc45)ccc32)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol?
The InChIKey is OLMTZMLHZKCCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-27(30,25-9-5-7-20-6-3-4-8-24(20)25)17-19-10-15-26-21(16-19)18-28-29(26)22-11-13-23(31-2)14-12-22/h3-16,18,30H,17H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol?
1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol has a molecular weight of 408.50 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol is sourced from PubChem (CID 143371944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).