(3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol

C18H16FN3O — CID 129350389

IUPAC(3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ccnc3ccncc23)C1
InChIInChI=1S/C18H16FN3O/c19-13-3-1-12(2-4-13)18-9-14(23)11-22(18)17-6-8-21-16-5-7-20-10-15(16)17/h1-8,10,14,18,23H,9,11H2/t14-,18+/m1/s1
InChIKeyHHFHORJRLUTVIR-KDOFPFPSSA-N
MW309.34 g/mol
LogP3.08
Rot. Bonds2

About (3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol

(3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol (PubChem CID 129350389) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is (3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
PubChem CID129350389
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name(3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ccnc3ccncc23)C1
InChIInChI=1S/C18H16FN3O/c19-13-3-1-12(2-4-13)18-9-14(23)11-22(18)17-6-8-21-16-5-7-20-10-15(16)17/h1-8,10,14,18,23H,9,11H2/t14-,18+/m1/s1
InChIKeyHHFHORJRLUTVIR-KDOFPFPSSA-N
XLogP3.08
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
CID 129482038
(3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
CID 154742177
(3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol
CID 100661594
(3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol
CID 98853341
(3R,5R)-5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-ol
CID 129350777
(3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129350803
[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 100670910
5-(2,5-difluorophenyl)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-ol
CID 128975508
(3-chloro-4-pyridinyl)-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129352274
1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 133495111
2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100662667
5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 128975590

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol (CID 129350389) is (3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol is O[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ccnc3ccncc23)C1.
What is the InChIKey of (3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol?
The InChIKey is HHFHORJRLUTVIR-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-13-3-1-12(2-4-13)18-9-14(23)11-22(18)17-6-8-21-16-5-7-20-10-15(16)17/h1-8,10,14,18,23H,9,11H2/t14-,18+/m1/s1.
What are the key properties of (3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol?
(3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol has a molecular weight of 309.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129350389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).