2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one

C20H20ClN3O2 — CID 20877476

IUPAC2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C20H20ClN3O2/c1-14(20(25)23-9-11-26-12-10-23)24-18-8-7-16(21)13-17(18)19(22-24)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3
InChIKeyHSPIUVXFFWGNJL-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.78
Rot. Bonds3

About 2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one

2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 20877476) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID20877476
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C20H20ClN3O2/c1-14(20(25)23-9-11-26-12-10-23)24-18-8-7-16(21)13-17(18)19(22-24)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3
InChIKeyHSPIUVXFFWGNJL-UHFFFAOYSA-N
XLogP3.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride
CID 21494216
(2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 129422166
2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 20877405
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
CID 20877468
1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 84602533
N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 6620038
2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide
CID 20877329
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 92984644
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one
CID 100829209
2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 20877389

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one (CID 20877476) is 2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is HSPIUVXFFWGNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14(20(25)23-9-11-26-12-10-23)24-18-8-7-16(21)13-17(18)19(22-24)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one?
2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 369.85 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 20877476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).