(1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol

C18H19FN4O — CID 124788035

IUPAC(1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol
SMILESO[C@@H](CN1CCC[C@H]1c1nnc2ccccn12)c1ccccc1F
InChIInChI=1S/C18H19FN4O/c19-14-7-2-1-6-13(14)16(24)12-22-10-5-8-15(22)18-21-20-17-9-3-4-11-23(17)18/h1-4,6-7,9,11,15-16,24H,5,8,10,12H2/t15-,16-/m0/s1
InChIKeyXOGPTHCTCISEIP-HOTGVXAUSA-N
MW326.38 g/mol
LogP2.74
Rot. Bonds4

About (1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol

(1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol (PubChem CID 124788035) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol
PubChem CID124788035
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name(1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol
SMILESO[C@@H](CN1CCC[C@H]1c1nnc2ccccn12)c1ccccc1F
InChIInChI=1S/C18H19FN4O/c19-14-7-2-1-6-13(14)16(24)12-22-10-5-8-15(22)18-21-20-17-9-3-4-11-23(17)18/h1-4,6-7,9,11,15-16,24H,5,8,10,12H2/t15-,16-/m0/s1
InChIKeyXOGPTHCTCISEIP-HOTGVXAUSA-N
XLogP2.74
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol
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CID 100844004
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CID 146139052
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CID 154753678
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CID 95153941
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CID 94180427
1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
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(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol (CID 124788035) is (1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol is O[C@@H](CN1CCC[C@H]1c1nnc2ccccn12)c1ccccc1F.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol?
The InChIKey is XOGPTHCTCISEIP-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-14-7-2-1-6-13(14)16(24)12-22-10-5-8-15(22)18-21-20-17-9-3-4-11-23(17)18/h1-4,6-7,9,11,15-16,24H,5,8,10,12H2/t15-,16-/m0/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol?
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol has a molecular weight of 326.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 124788035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).