N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide

C23H28N4O5 — CID 162668768

IUPACN-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide
SMILESCOc1cc(OC)cc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1
InChIInChI=1S/C23H28N4O5/c1-31-17-11-16(12-18(14-17)32-2)15-9-10-19-20(13-15)25-26-23(19)24-21(28)7-5-3-4-6-8-22(29)27-30/h9-14,30H,3-8H2,1-2H3,(H,27,29)(H2,24,25,26,28)
InChIKeyHAJHDMHFDQUTII-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.03
Rot. Bonds11

About N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide

N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide (PubChem CID 162668768) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide
PubChem CID162668768
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC NameN-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide
SMILESCOc1cc(OC)cc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1
InChIInChI=1S/C23H28N4O5/c1-31-17-11-16(12-18(14-17)32-2)15-9-10-19-20(13-15)25-26-23(19)24-21(28)7-5-3-4-6-8-22(29)27-30/h9-14,30H,3-8H2,1-2H3,(H,27,29)(H2,24,25,26,28)
InChIKeyHAJHDMHFDQUTII-UHFFFAOYSA-N
XLogP4.03
TPSA125.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide (CID 162668768) is N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide is COc1cc(OC)cc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1.
What is the InChIKey of N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide?
The InChIKey is HAJHDMHFDQUTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-31-17-11-16(12-18(14-17)32-2)15-9-10-19-20(13-15)25-26-23(19)24-21(28)7-5-3-4-6-8-22(29)27-30/h9-14,30H,3-8H2,1-2H3,(H,27,29)(H2,24,25,26,28).
What are the key properties of N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide?
N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide has a molecular weight of 440.50 g/mol, XLogP of 4.03, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 162668768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).