2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

C26H25ClN4O2 — CID 20877389

IUPAC2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cn3nc(-c4ccccc4)c4cc(Cl)ccc43)CC2)cc1
InChIInChI=1S/C26H25ClN4O2/c1-33-22-10-8-21(9-11-22)29-13-15-30(16-14-29)25(32)18-31-24-12-7-20(27)17-23(24)26(28-31)19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3
InChIKeyGSLCNKUTCIDNBT-UHFFFAOYSA-N
MW460.97 g/mol
LogP4.71
Rot. Bonds5

About 2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 20877389) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is 2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID20877389
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC Name2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cn3nc(-c4ccccc4)c4cc(Cl)ccc43)CC2)cc1
InChIInChI=1S/C26H25ClN4O2/c1-33-22-10-8-21(9-11-22)29-13-15-30(16-14-29)25(32)18-31-24-12-7-20(27)17-23(24)26(28-31)19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3
InChIKeyGSLCNKUTCIDNBT-UHFFFAOYSA-N
XLogP4.71
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one
CID 46346805
6-(4-chlorophenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52898063
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 8969458
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-chloro-3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 58778022
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 58778060
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone
CID 56528726
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-phenylimidazol-1-yl)propan-1-one
CID 44594645
2-[4-bromo-3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;ethane
CID 142843252
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(3-phenyl-1,2-oxazol-4-yl)propan-1-one
CID 71839863
3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 78775420
2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 46514228

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 20877389) is 2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)Cn3nc(-c4ccccc4)c4cc(Cl)ccc43)CC2)cc1.
What is the InChIKey of 2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is GSLCNKUTCIDNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c1-33-22-10-8-21(9-11-22)29-13-15-30(16-14-29)25(32)18-31-24-12-7-20(27)17-23(24)26(28-31)19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3.
What are the key properties of 2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 460.97 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 20877389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).