2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone

C14H18ClN5O — CID 118182494

IUPAC2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2cc3cc(N)c(Cl)cc3n2)CC1
InChIInChI=1S/C14H18ClN5O/c1-18-2-4-19(5-3-18)14(21)9-20-8-10-6-12(16)11(15)7-13(10)17-20/h6-8H,2-5,9,16H2,1H3
InChIKeyMWQFBXFEJJBRSN-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.05
Rot. Bonds2

About 2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 118182494) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID118182494
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2cc3cc(N)c(Cl)cc3n2)CC1
InChIInChI=1S/C14H18ClN5O/c1-18-2-4-19(5-3-18)14(21)9-20-8-10-6-12(16)11(15)7-13(10)17-20/h6-8H,2-5,9,16H2,1H3
InChIKeyMWQFBXFEJJBRSN-UHFFFAOYSA-N
XLogP1.05
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 54594517
N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]formamide
CID 134422914
6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 118173086
N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
CID 118182655
2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 147912054
2-(4-amino-3-chlorophenyl)sulfinyl-1-(4-methylpiperazin-1-yl)ethanone
CID 81202667
1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone
CID 158932992
2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 66915834
2-[4-(3-aminopropyl)triazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 106221300
5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid
CID 151930847
4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid
CID 107344226
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 60780092

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 118182494) is 2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cn2cc3cc(N)c(Cl)cc3n2)CC1.
What is the InChIKey of 2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is MWQFBXFEJJBRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-18-2-4-19(5-3-18)14(21)9-20-8-10-6-12(16)11(15)7-13(10)17-20/h6-8H,2-5,9,16H2,1H3.
What are the key properties of 2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 307.79 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 118182494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).