[3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C20H22N4O2 — CID 122556465

IUPAC[3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(-c3ccc4[nH]nc(N)c4c3)c2)C[C@H](C)O1
InChIInChI=1S/C20H22N4O2/c1-12-10-24(11-13(2)26-12)20(25)16-5-3-4-14(8-16)15-6-7-18-17(9-15)19(21)23-22-18/h3-9,12-13H,10-11H2,1-2H3,(H3,21,22,23)/t12-,13+
InChIKeySMIVFMUTWJXEKN-BETUJISGSA-N
MW350.42 g/mol
LogP3.06
Rot. Bonds2

About [3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

[3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 122556465) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID122556465
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(-c3ccc4[nH]nc(N)c4c3)c2)C[C@H](C)O1
InChIInChI=1S/C20H22N4O2/c1-12-10-24(11-13(2)26-12)20(25)16-5-3-4-14(8-16)15-6-7-18-17(9-15)19(21)23-22-18/h3-9,12-13H,10-11H2,1-2H3,(H3,21,22,23)/t12-,13+
InChIKeySMIVFMUTWJXEKN-BETUJISGSA-N
XLogP3.06
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[3-(3-amino-1H-indazol-5-yl)phenyl]methanone
CID 122557539
1-[4-[3-(3-amino-1H-indazol-5-yl)benzoyl]-1,4-diazepan-1-yl]ethanone
CID 122566998
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione
CID 23474515
(2-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide
CID 104959807
(2,6-dimethylmorpholin-4-yl)-(3-nitrophenyl)methanone
CID 2832217
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523

Frequently Asked Questions

What is the IUPAC name of [3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 122556465) is [3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cccc(-c3ccc4[nH]nc(N)c4c3)c2)C[C@H](C)O1.
What is the InChIKey of [3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is SMIVFMUTWJXEKN-BETUJISGSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-10-24(11-13(2)26-12)20(25)16-5-3-4-14(8-16)15-6-7-18-17(9-15)19(21)23-22-18/h3-9,12-13H,10-11H2,1-2H3,(H3,21,22,23)/t12-,13+.
What are the key properties of [3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 122556465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).