2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

C21H23ClN4O — CID 22510034

IUPAC2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cn3ncc4ccc(Cl)cc43)CC2)c1C
InChIInChI=1S/C21H23ClN4O/c1-15-4-3-5-19(16(15)2)24-8-10-25(11-9-24)21(27)14-26-20-12-18(22)7-6-17(20)13-23-26/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyDPASKWIANSBBMG-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.66
Rot. Bonds3

About 2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (PubChem CID 22510034) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
PubChem CID22510034
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cn3ncc4ccc(Cl)cc43)CC2)c1C
InChIInChI=1S/C21H23ClN4O/c1-15-4-3-5-19(16(15)2)24-8-10-25(11-9-24)21(27)14-26-20-12-18(22)7-6-17(20)13-23-26/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyDPASKWIANSBBMG-UHFFFAOYSA-N
XLogP3.66
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (CID 22510034) is 2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)Cn3ncc4ccc(Cl)cc43)CC2)c1C.
What is the InChIKey of 2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The InChIKey is DPASKWIANSBBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-15-4-3-5-19(16(15)2)24-8-10-25(11-9-24)21(27)14-26-20-12-18(22)7-6-17(20)13-23-26/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of 2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 382.90 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 22510034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).