(2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one

C15H18BrN3O3 — CID 100816524

IUPAC(2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)N1CCOCC1
InChIInChI=1S/C15H18BrN3O3/c1-10(15(20)19-5-7-21-8-6-19)22-14-12-9-11(16)3-4-13(12)18(2)17-14/h3-4,9-10H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyPKUFVYBMILTCHH-JTQLQIEISA-N
MW368.23 g/mol
LogP1.96
Rot. Bonds3

About (2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one

(2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one (PubChem CID 100816524) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is (2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one
PubChem CID100816524
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC Name(2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)N1CCOCC1
InChIInChI=1S/C15H18BrN3O3/c1-10(15(20)19-5-7-21-8-6-19)22-14-12-9-11(16)3-4-13(12)18(2)17-14/h3-4,9-10H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyPKUFVYBMILTCHH-JTQLQIEISA-N
XLogP1.96
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-thiomorpholin-4-ylpropan-1-one
CID 100816519
5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid
CID 43084682
5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde
CID 43083111
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-amino-5-bromobenzoate
CID 40954545
(2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 100816548
2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 43379295
2-[4-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43503667
5-bromo-1-methylindazole-3-carboxylic acid
CID 67230358
3-bromo-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde
CID 60643504
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one (CID 100816524) is (2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one is C[C@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one?
The InChIKey is PKUFVYBMILTCHH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-10(15(20)19-5-7-21-8-6-19)22-14-12-9-11(16)3-4-13(12)18(2)17-14/h3-4,9-10H,5-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one?
(2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one has a molecular weight of 368.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 100816524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).