[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C18H20ClN3O2 — CID 94936140

IUPAC[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCO[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H20ClN3O2/c19-13-7-5-12(6-8-13)16-11-22(9-10-24-16)18(23)17-14-3-1-2-4-15(14)20-21-17/h5-8,16H,1-4,9-11H2,(H,20,21)/t16-/m0/s1
InChIKeyAFPZFKKKEGKYLM-INIZCTEOSA-N
MW345.83 g/mol
LogP3.16
Rot. Bonds2

About [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 94936140) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID94936140
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCO[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H20ClN3O2/c19-13-7-5-12(6-8-13)16-11-22(9-10-24-16)18(23)17-14-3-1-2-4-15(14)20-21-17/h5-8,16H,1-4,9-11H2,(H,20,21)/t16-/m0/s1
InChIKeyAFPZFKKKEGKYLM-INIZCTEOSA-N
XLogP3.16
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone with MolForge

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Related Compounds

(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110118939
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 124971507
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 128964973
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657
(3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56877212
[2-(4-chlorophenyl)morpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56758835
(3-amino-1H-pyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95556703
[(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 124958181
[2-(4-chlorophenyl)morpholin-4-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 56746635
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 125177108
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 94936140) is [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is O=C(c1n[nH]c2c1CCCC2)N1CCO[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is AFPZFKKKEGKYLM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-13-7-5-12(6-8-13)16-11-22(9-10-24-16)18(23)17-14-3-1-2-4-15(14)20-21-17/h5-8,16H,1-4,9-11H2,(H,20,21)/t16-/m0/s1.
What are the key properties of [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 345.83 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 94936140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).