3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

C16H20ClN3O2 — CID 56686289

IUPAC3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCn2ncc3c(Cl)cccc32)CC(C)O1
InChIInChI=1S/C16H20ClN3O2/c1-11-9-19(10-12(2)22-11)16(21)6-7-20-15-5-3-4-14(17)13(15)8-18-20/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyUQHKFSZUYAGULD-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.72
Rot. Bonds3

About 3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 56686289) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID56686289
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCn2ncc3c(Cl)cccc32)CC(C)O1
InChIInChI=1S/C16H20ClN3O2/c1-11-9-19(10-12(2)22-11)16(21)6-7-20-15-5-3-4-14(17)13(15)8-18-20/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyUQHKFSZUYAGULD-UHFFFAOYSA-N
XLogP2.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 95754600
1-(2,6-dimethylmorpholin-4-yl)-3-(6-methylindazol-1-yl)propan-1-one
CID 75767368
1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one
CID 75767441
2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
CID 18135466
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 4768989
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 51389961
3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 35815227
4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one
CID 2585263
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3545684
N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide
CID 56731683
2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 973581
1-[3-(4-oxocinnolin-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 126776520

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 56686289) is 3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)CCn2ncc3c(Cl)cccc32)CC(C)O1.
What is the InChIKey of 3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is UQHKFSZUYAGULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11-9-19(10-12(2)22-11)16(21)6-7-20-15-5-3-4-14(17)13(15)8-18-20/h3-5,8,11-12H,6-7,9-10H2,1-2H3.
What are the key properties of 3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 321.81 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 56686289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).