2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone

C13H15ClN4O2 — CID 118182521

IUPAC2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone
SMILESNc1cc2cn(CC(=O)N3CCOCC3)nc2cc1Cl
InChIInChI=1S/C13H15ClN4O2/c14-10-6-12-9(5-11(10)15)7-18(16-12)8-13(19)17-1-3-20-4-2-17/h5-7H,1-4,8,15H2
InChIKeyJMXOLNXNNVCQAD-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.13
Rot. Bonds2

About 2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone

2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone (PubChem CID 118182521) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone
PubChem CID118182521
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone
SMILESNc1cc2cn(CC(=O)N3CCOCC3)nc2cc1Cl
InChIInChI=1S/C13H15ClN4O2/c14-10-6-12-9(5-11(10)15)7-18(16-12)8-13(19)17-1-3-20-4-2-17/h5-7H,1-4,8,15H2
InChIKeyJMXOLNXNNVCQAD-UHFFFAOYSA-N
XLogP1.13
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1H-indazole
CID 22510006
N-(4-chlorobenzyl)-2-(1H-indazol-1-yl)acetamide
CID 6625263
2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 6625503
2-(6-Chloroindazol-1-yl)-1-piperidin-1-ylethanone
CID 6625648
2-(6-chloroindazol-1-yl)-N-cyclopentylacetamide
CID 6625685
2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 6625724
N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892341
2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 22509904
N-benzyl-2-(6-chloro-1H-indazol-1-yl)acetamide
CID 22509966
2-(6-Chloro-1H-indazol-1-YL)-1-[4-(2,3-dimethylphenyl)piperazin-1-YL]ethan-1-one
CID 22510034
2-(6-chloro-1H-indazol-1-yl)-N-cyclohexylacetamide
CID 22510003
N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide
CID 134422963

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone (CID 118182521) is 2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone is Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1Cl.
What is the InChIKey of 2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone?
The InChIKey is JMXOLNXNNVCQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c14-10-6-12-9(5-11(10)15)7-18(16-12)8-13(19)17-1-3-20-4-2-17/h5-7H,1-4,8,15H2.
What are the key properties of 2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone?
2-(5-amino-6-chloroindazol-2-yl)-1-morpholin-4-ylethanone has a molecular weight of 294.74 g/mol, XLogP of 1.13, 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-morpholin-4-ylethanone is sourced from PubChem (CID 118182521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).