methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate

C15H17N3O4 — CID 133115252

IUPACmethyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1cnn2ccccc12
InChIInChI=1S/C15H17N3O4/c1-22-15(21)13-8-10(19)5-7-17(13)14(20)11-9-16-18-6-3-2-4-12(11)18/h2-4,6,9-10,13,19H,5,7-8H2,1H3/t10-,13+/m1/s1
InChIKeyLVXHGJYUYAWKCF-MFKMUULPSA-N
MW303.32 g/mol
LogP0.47
Rot. Bonds2

About methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate

methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate (PubChem CID 133115252) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate
PubChem CID133115252
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namemethyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1cnn2ccccc12
InChIInChI=1S/C15H17N3O4/c1-22-15(21)13-8-10(19)5-7-17(13)14(20)11-9-16-18-6-3-2-4-12(11)18/h2-4,6,9-10,13,19H,5,7-8H2,1H3/t10-,13+/m1/s1
InChIKeyLVXHGJYUYAWKCF-MFKMUULPSA-N
XLogP0.47
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R,4S)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate
CID 50961369
methyl 4-(pyrazolo[1,5-a]pyridine-3-carbonyl)morpholine-3-carboxylate
CID 103719037
methyl (2R,4S)-4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-2-carboxylate
CID 50948259
4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116405
3-methyl-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103117258
methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 133137955
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103352408
[(3S)-3-hydroxypiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 107224385
methyl (2S,4R)-4-hydroxy-1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidine-2-carboxylate
CID 133127407
methyl (2R,4S)-4-hydroxy-1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidine-2-carboxylate
CID 50979069
[2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103122402
[3-(methylamino)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119413658

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate (CID 133115252) is methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate is COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1cnn2ccccc12.
What is the InChIKey of methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate?
The InChIKey is LVXHGJYUYAWKCF-MFKMUULPSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-22-15(21)13-8-10(19)5-7-17(13)14(20)11-9-16-18-6-3-2-4-12(11)18/h2-4,6,9-10,13,19H,5,7-8H2,1H3/t10-,13+/m1/s1.
What are the key properties of methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate?
methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 133115252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).