1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone

C18H19N7O2 — CID 97144650

IUPAC1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@H](Cn2cc(-c3cnc(-c4ccccn4)nc3)nn2)C1
InChIInChI=1S/C18H19N7O2/c1-13(26)24-6-7-27-15(10-24)11-25-12-17(22-23-25)14-8-20-18(21-9-14)16-4-2-3-5-19-16/h2-5,8-9,12,15H,6-7,10-11H2,1H3/t15-/m0/s1
InChIKeyVIUZWEXUKLQSNB-HNNXBMFYSA-N
MW365.40 g/mol
LogP1.04
Rot. Bonds4

About 1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone

1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone (PubChem CID 97144650) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
PubChem CID97144650
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@H](Cn2cc(-c3cnc(-c4ccccn4)nc3)nn2)C1
InChIInChI=1S/C18H19N7O2/c1-13(26)24-6-7-27-15(10-24)11-25-12-17(22-23-25)14-8-20-18(21-9-14)16-4-2-3-5-19-16/h2-5,8-9,12,15H,6-7,10-11H2,1H3/t15-/m0/s1
InChIKeyVIUZWEXUKLQSNB-HNNXBMFYSA-N
XLogP1.04
TPSA98.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid
CID 167803748
[2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone
CID 167941425
(2R)-2-(pyrazol-1-ylmethyl)-4-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-1,4-oxazepane
CID 99946385
1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone
CID 95867860
N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95197355
6-[1-[[(2S)-4-acetylmorpholin-2-yl]methyl]triazol-4-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 68741591
1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone
CID 21442799
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95551213
(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 126442055
2-[(4-methylpyrazol-1-yl)methyl]-4-pyridin-2-ylmorpholine
CID 133281884
(3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
CID 119881082
(3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125178364

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone (CID 97144650) is 1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone is CC(=O)N1CCO[C@H](Cn2cc(-c3cnc(-c4ccccn4)nc3)nn2)C1.
What is the InChIKey of 1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone?
The InChIKey is VIUZWEXUKLQSNB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-13(26)24-6-7-27-15(10-24)11-25-12-17(22-23-25)14-8-20-18(21-9-14)16-4-2-3-5-19-16/h2-5,8-9,12,15H,6-7,10-11H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone?
1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone has a molecular weight of 365.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 97144650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).