(4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone

C21H22N4O2 — CID 32773251

IUPAC(4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3cccc4cn[nH]c34)CC2)cc1
InChIInChI=1S/C21H22N4O2/c1-2-15-6-8-16(9-7-15)20(26)24-10-12-25(13-11-24)21(27)18-5-3-4-17-14-22-23-19(17)18/h3-9,14H,2,10-13H2,1H3,(H,22,23)
InChIKeyYSBGGYKBYLLUIV-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.72
Rot. Bonds3

About (4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone

(4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone (PubChem CID 32773251) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone
PubChem CID32773251
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3cccc4cn[nH]c34)CC2)cc1
InChIInChI=1S/C21H22N4O2/c1-2-15-6-8-16(9-7-15)20(26)24-10-12-25(13-11-24)21(27)18-5-3-4-17-14-22-23-19(17)18/h3-9,14H,2,10-13H2,1H3,(H,22,23)
InChIKeyYSBGGYKBYLLUIV-UHFFFAOYSA-N
XLogP2.72
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78847170
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37314320
N-(2,3-dimethylphenyl)-2-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]acetamide
CID 37205967
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37278337
1H-indazol-7-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859698
4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid
CID 166202110
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-7-yl)methanone
CID 38448028
[4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
CID 52987319
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone (CID 32773251) is (4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(C(=O)c3cccc4cn[nH]c34)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone?
The InChIKey is YSBGGYKBYLLUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-15-6-8-16(9-7-15)20(26)24-10-12-25(13-11-24)21(27)18-5-3-4-17-14-22-23-19(17)18/h3-9,14H,2,10-13H2,1H3,(H,22,23).
What are the key properties of (4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone?
(4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 32773251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).