5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

C19H22FN3O2 — CID 123166839

IUPAC5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
SMILESOc1ccc(CCN2CC3CC(O)(c4cccnc4F)CC3C2)nc1
InChIInChI=1S/C19H22FN3O2/c20-18-17(2-1-6-21-18)19(25)8-13-11-23(12-14(13)9-19)7-5-15-3-4-16(24)10-22-15/h1-4,6,10,13-14,24-25H,5,7-9,11-12H2
InChIKeySEPLCSVLTVBHFE-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.09
Rot. Bonds4

About 5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol (PubChem CID 123166839) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
PubChem CID123166839
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
SMILESOc1ccc(CCN2CC3CC(O)(c4cccnc4F)CC3C2)nc1
InChIInChI=1S/C19H22FN3O2/c20-18-17(2-1-6-21-18)19(25)8-13-11-23(12-14(13)9-19)7-5-15-3-4-16(24)10-22-15/h1-4,6,10,13-14,24-25H,5,7-9,11-12H2
InChIKeySEPLCSVLTVBHFE-UHFFFAOYSA-N
XLogP2.09
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3aR,6aS)-5-[(2,4-difluorophenyl)methyl]-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 163632810
6-[2-[(3aS,6aR)-5-benzyl-5-methoxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]pyridin-3-ol
CID 167300914
1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
CID 157038979
benzyl 3-(2-fluoro-3-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171964623
[(1S,5R)-3-(2-fluoro-3-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyrazin-2-ylmethanone
CID 95799353
3-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]-1H-pyridazin-6-one
CID 123931976
(2-fluorophenyl)-[(1S,5R)-3-(2-fluoro-3-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 95799343
2-[2-(4-hydroxyphenyl)ethyl]-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 123595990
6-[(3,5-dimethylpiperidin-1-yl)methyl]pyridin-3-ol
CID 82975085
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
(4S)-4-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 95800999
1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 110244987

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol?
The IUPAC name of 5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol (CID 123166839) is 5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for 5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol?
The canonical SMILES for 5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol is Oc1ccc(CCN2CC3CC(O)(c4cccnc4F)CC3C2)nc1.
What is the InChIKey of 5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol?
The InChIKey is SEPLCSVLTVBHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-18-17(2-1-6-21-18)19(25)8-13-11-23(12-14(13)9-19)7-5-15-3-4-16(24)10-22-15/h1-4,6,10,13-14,24-25H,5,7-9,11-12H2.
What are the key properties of 5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol?
5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol has a molecular weight of 343.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-pyridinyl)-2-[2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 123166839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).