4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide

C26H27N5O — CID 141458906

IUPAC4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5ccccc5)ccc34)cc2)CC1
InChIInChI=1S/C26H27N5O/c1-2-30-14-16-31(17-15-30)22-11-8-20(9-12-22)26(32)27-25-23-13-10-21(18-24(23)28-29-25)19-6-4-3-5-7-19/h3-13,18H,2,14-17H2,1H3,(H2,27,28,29,32)
InChIKeyFHLWFYZMYSCAKF-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.62
Rot. Bonds5

About 4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide

4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide (PubChem CID 141458906) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide
PubChem CID141458906
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5ccccc5)ccc34)cc2)CC1
InChIInChI=1S/C26H27N5O/c1-2-30-14-16-31(17-15-30)22-11-8-20(9-12-22)26(32)27-25-23-13-10-21(18-24(23)28-29-25)19-6-4-3-5-7-19/h3-13,18H,2,14-17H2,1H3,(H2,27,28,29,32)
InChIKeyFHLWFYZMYSCAKF-UHFFFAOYSA-N
XLogP4.62
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[6-(1-benzylpiperidin-1-ium-1-yl)oxy-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 89158415
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide
CID 69059504
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244124
N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
CID 175920534
N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide
CID 153406241
N-(6-phenyl-1H-indazol-3-yl)furan-2-carboxamide
CID 69065534
N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 137123725
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide (CID 141458906) is 4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide is CCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5ccccc5)ccc34)cc2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide?
The InChIKey is FHLWFYZMYSCAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-2-30-14-16-31(17-15-30)22-11-8-20(9-12-22)26(32)27-25-23-13-10-21(18-24(23)28-29-25)19-6-4-3-5-7-19/h3-13,18H,2,14-17H2,1H3,(H2,27,28,29,32).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide?
4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide has a molecular weight of 425.54 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide is sourced from PubChem (CID 141458906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).