5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole

C24H25N3 — CID 143805380

IUPAC5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole
SMILESCCc1ccc(Cc2cccc(Cc3ccc4[nH]ncc4c3)n2)cc1CC
InChIInChI=1S/C24H25N3/c1-3-19-10-8-17(12-20(19)4-2)14-22-6-5-7-23(26-22)15-18-9-11-24-21(13-18)16-25-27-24/h5-13,16H,3-4,14-15H2,1-2H3,(H,25,27)
InChIKeyZOFBXLDWYSHZIB-UHFFFAOYSA-N
MW355.49 g/mol
LogP5.26
Rot. Bonds6

About 5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole

5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole (PubChem CID 143805380) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is 5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole.

Molecular Properties

Compound Name5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole
PubChem CID143805380
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC Name5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole
SMILESCCc1ccc(Cc2cccc(Cc3ccc4[nH]ncc4c3)n2)cc1CC
InChIInChI=1S/C24H25N3/c1-3-19-10-8-17(12-20(19)4-2)14-22-6-5-7-23(26-22)15-18-9-11-24-21(13-18)16-25-27-24/h5-13,16H,3-4,14-15H2,1-2H3,(H,25,27)
InChIKeyZOFBXLDWYSHZIB-UHFFFAOYSA-N
XLogP5.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole?
The IUPAC name of 5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole (CID 143805380) is 5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole.
What is the SMILES notation for 5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole?
The canonical SMILES for 5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole is CCc1ccc(Cc2cccc(Cc3ccc4[nH]ncc4c3)n2)cc1CC.
What is the InChIKey of 5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole?
The InChIKey is ZOFBXLDWYSHZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-3-19-10-8-17(12-20(19)4-2)14-22-6-5-7-23(26-22)15-18-9-11-24-21(13-18)16-25-27-24/h5-13,16H,3-4,14-15H2,1-2H3,(H,25,27).
What are the key properties of 5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole?
5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole has a molecular weight of 355.49 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole is sourced from PubChem (CID 143805380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).