1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone

C19H19N3O2 — CID 95215460

IUPAC1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cccc3cn[nH]c23)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H19N3O2/c1-13-11-22(12-17(24-13)14-6-3-2-4-7-14)19(23)16-9-5-8-15-10-20-21-18(15)16/h2-10,13,17H,11-12H2,1H3,(H,20,21)/t13-,17-/m0/s1
InChIKeyHOSYKALAFIBZRO-GUYCJALGSA-N
MW321.38 g/mol
LogP3.17
Rot. Bonds2

About 1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone

1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone (PubChem CID 95215460) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
PubChem CID95215460
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cccc3cn[nH]c23)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H19N3O2/c1-13-11-22(12-17(24-13)14-6-3-2-4-7-14)19(23)16-9-5-8-15-10-20-21-18(15)16/h2-10,13,17H,11-12H2,1H3,(H,20,21)/t13-,17-/m0/s1
InChIKeyHOSYKALAFIBZRO-GUYCJALGSA-N
XLogP3.17
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95583774
(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537836
3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one
CID 94823289
[2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95772487
[(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone
CID 124626418
(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95147885
(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 47914996
(2-methyl-6-phenylmorpholin-4-yl)-pyrazin-2-ylmethanone
CID 47914748
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 94823256
5-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 122158408

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The IUPAC name of 1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone (CID 95215460) is 1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for 1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The canonical SMILES for 1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2cccc3cn[nH]c23)C[C@@H](c2ccccc2)O1.
What is the InChIKey of 1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The InChIKey is HOSYKALAFIBZRO-GUYCJALGSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-11-22(12-17(24-13)14-6-3-2-4-7-14)19(23)16-9-5-8-15-10-20-21-18(15)16/h2-10,13,17H,11-12H2,1H3,(H,20,21)/t13-,17-/m0/s1.
What are the key properties of 1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 95215460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).