(2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid

C14H14N4O4 — CID 125153617

IUPAC(2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2cccnc2-n2cccn2)CCO1
InChIInChI=1S/C14H14N4O4/c19-13(17-7-8-22-11(9-17)14(20)21)10-3-1-4-15-12(10)18-6-2-5-16-18/h1-6,11H,7-9H2,(H,20,21)/t11-/m0/s1
InChIKeyVOMRAACFRMWJMX-NSHDSACASA-N
MW302.29 g/mol
LogP0.19
Rot. Bonds3

About (2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid

(2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 125153617) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is (2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID125153617
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name(2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2cccnc2-n2cccn2)CCO1
InChIInChI=1S/C14H14N4O4/c19-13(17-7-8-22-11(9-17)14(20)21)10-3-1-4-15-12(10)18-6-2-5-16-18/h1-6,11H,7-9H2,(H,20,21)/t11-/m0/s1
InChIKeyVOMRAACFRMWJMX-NSHDSACASA-N
XLogP0.19
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239609
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone
CID 95584354
4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid
CID 120526082
1-cyclopropyl-4-(2-pyrazol-1-ylpyridine-3-carbonyl)piperazin-2-one
CID 71863506
(5,5-dioxo-1,5,2-oxathiazepan-2-yl)-(2-pyrazol-1-yl-3-pyridinyl)methanone
CID 155955345
2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124704985
(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 84576155
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634
(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid
CID 125154179
4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid
CID 120526060
4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 120526124
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid (CID 125153617) is (2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)c2cccnc2-n2cccn2)CCO1.
What is the InChIKey of (2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is VOMRAACFRMWJMX-NSHDSACASA-N. The full InChI is InChI=1S/C14H14N4O4/c19-13(17-7-8-22-11(9-17)14(20)21)10-3-1-4-15-12(10)18-6-2-5-16-18/h1-6,11H,7-9H2,(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid?
(2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 125153617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).