1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone

C19H18FN3O2 — CID 100720151

IUPAC1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
SMILESO=C(Cc1cn2ccccc2n1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C19H18FN3O2/c20-14-5-3-4-13(8-14)17-10-16(24)12-23(17)19(25)9-15-11-22-7-2-1-6-18(22)21-15/h1-8,11,16-17,24H,9-10,12H2/t16-,17-/m0/s1
InChIKeyPMLHLQWXURIYTG-IRXDYDNUSA-N
MW339.37 g/mol
LogP2.35
Rot. Bonds3

About 1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone

1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone (PubChem CID 100720151) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
PubChem CID100720151
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
SMILESO=C(Cc1cn2ccccc2n1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C19H18FN3O2/c20-14-5-3-4-13(8-14)17-10-16(24)12-23(17)19(25)9-15-11-22-7-2-1-6-18(22)21-15/h1-8,11,16-17,24H,9-10,12H2/t16-,17-/m0/s1
InChIKeyPMLHLQWXURIYTG-IRXDYDNUSA-N
XLogP2.35
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride
CID 120735838
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 100721515
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 128964220
1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 63106394
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 100721362
1-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 129481351
4-[2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzonitrile
CID 129481433
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone
CID 128972537
1-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 100719657
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-[3-(methoxymethyl)phenyl]ethanone
CID 128990037
1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 100720687
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 128972536

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
The IUPAC name of 1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone (CID 100720151) is 1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone.
What is the SMILES notation for 1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
The canonical SMILES for 1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone is O=C(Cc1cn2ccccc2n1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1.
What is the InChIKey of 1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
The InChIKey is PMLHLQWXURIYTG-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-14-5-3-4-13(8-14)17-10-16(24)12-23(17)19(25)9-15-11-22-7-2-1-6-18(22)21-15/h1-8,11,16-17,24H,9-10,12H2/t16-,17-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone has a molecular weight of 339.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone is sourced from PubChem (CID 100720151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).