N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide

C22H25N3O3 — CID 69065277

IUPACN-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2ccc3c(NC(=O)C4CCCCC4)n[nH]c3c2)c(OC)c1
InChIInChI=1S/C22H25N3O3/c1-27-16-9-11-17(20(13-16)28-2)15-8-10-18-19(12-15)24-25-21(18)23-22(26)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H2,23,24,25,26)
InChIKeySHZRLDXLJNCIFC-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.77
Rot. Bonds5

About N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide

N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide (PubChem CID 69065277) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
PubChem CID69065277
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2ccc3c(NC(=O)C4CCCCC4)n[nH]c3c2)c(OC)c1
InChIInChI=1S/C22H25N3O3/c1-27-16-9-11-17(20(13-16)28-2)15-8-10-18-19(12-15)24-25-21(18)23-22(26)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H2,23,24,25,26)
InChIKeySHZRLDXLJNCIFC-UHFFFAOYSA-N
XLogP4.77
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065189
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]cyclopentanecarboxamide
CID 69065075
N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065843
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69060405
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686795
N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69059640
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69064177
1-(cyclopropylmethyl)-3-[6-(4-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69061513
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69062286
N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide
CID 69069520
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide (CID 69065277) is N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide is COc1ccc(-c2ccc3c(NC(=O)C4CCCCC4)n[nH]c3c2)c(OC)c1.
What is the InChIKey of N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide?
The InChIKey is SHZRLDXLJNCIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-16-9-11-17(20(13-16)28-2)15-8-10-18-19(12-15)24-25-21(18)23-22(26)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H2,23,24,25,26).
What are the key properties of N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide?
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 69065277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).