[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone

C19H19N3O3 — CID 129350051

IUPAC[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESCOc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cn3ccccc3n2)c1
InChIInChI=1S/C19H19N3O3/c1-25-15-6-4-5-13(9-15)17-10-14(23)11-22(17)19(24)16-12-21-8-3-2-7-18(21)20-16/h2-9,12,14,17,23H,10-11H2,1H3/t14-,17-/m0/s1
InChIKeyWNZDZGNWJSQIER-YOEHRIQHSA-N
MW337.38 g/mol
LogP2.29
Rot. Bonds3

About [(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone

[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (PubChem CID 129350051) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is [(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
PubChem CID129350051
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESCOc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cn3ccccc3n2)c1
InChIInChI=1S/C19H19N3O3/c1-25-15-6-4-5-13(9-15)17-10-14(23)11-22(17)19(24)16-12-21-8-3-2-7-18(21)20-16/h2-9,12,14,17,23H,10-11H2,1H3/t14-,17-/m0/s1
InChIKeyWNZDZGNWJSQIER-YOEHRIQHSA-N
XLogP2.29
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethylpyrimidin-4-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129346675
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129481472
furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481618
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 129481726
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129346475
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
CID 100740302
[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
CID 100740296
(2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63858178
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 129350056
(1,3-dimethylpyrrol-2-yl)-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129346275
(3-fluorophenyl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 125141501
(1-tert-butylpyrazol-4-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481518

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The IUPAC name of [(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (CID 129350051) is [(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The canonical SMILES for [(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cn3ccccc3n2)c1.
What is the InChIKey of [(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The InChIKey is WNZDZGNWJSQIER-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-15-6-4-5-13(9-15)17-10-14(23)11-22(17)19(24)16-12-21-8-3-2-7-18(21)20-16/h2-9,12,14,17,23H,10-11H2,1H3/t14-,17-/m0/s1.
What are the key properties of [(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone has a molecular weight of 337.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is sourced from PubChem (CID 129350051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).