[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone

C21H23N3O2 — CID 122568773

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(-c3nn(C)c4ccccc34)cc2)C[C@H](C)O1
InChIInChI=1S/C21H23N3O2/c1-14-12-24(13-15(2)26-14)21(25)17-10-8-16(9-11-17)20-18-6-4-5-7-19(18)23(3)22-20/h4-11,14-15H,12-13H2,1-3H3/t14-,15+
InChIKeyRSWOQZJHTLVGJO-GASCZTMLSA-N
MW349.43 g/mol
LogP3.49
Rot. Bonds2

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone (PubChem CID 122568773) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone
PubChem CID122568773
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(-c3nn(C)c4ccccc34)cc2)C[C@H](C)O1
InChIInChI=1S/C21H23N3O2/c1-14-12-24(13-15(2)26-14)21(25)17-10-8-16(9-11-17)20-18-6-4-5-7-19(18)23(3)22-20/h4-11,14-15H,12-13H2,1-3H3/t14-,15+
InChIKeyRSWOQZJHTLVGJO-GASCZTMLSA-N
XLogP3.49
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(1-methylindazol-3-yl)methanone
CID 103123263
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(1-methylindazol-3-yl)oxypropan-1-one
CID 100816542
[4-(benzimidazol-1-yl)phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 41038540
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375
[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 90105596
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 700898
(2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 112759878

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone (CID 122568773) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone is C[C@@H]1CN(C(=O)c2ccc(-c3nn(C)c4ccccc34)cc2)C[C@H](C)O1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone?
The InChIKey is RSWOQZJHTLVGJO-GASCZTMLSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-12-24(13-15(2)26-14)21(25)17-10-8-16(9-11-17)20-18-6-4-5-7-19(18)23(3)22-20/h4-11,14-15H,12-13H2,1-3H3/t14-,15+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1-methylindazol-3-yl)phenyl]methanone is sourced from PubChem (CID 122568773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).