(3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol

C23H24FN3O2 — CID 57425757

IUPAC(3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol
SMILESCOc1cccc(C(N2CC[C@@H](O)C2)C(F)(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C23H24FN3O2/c1-29-21-8-2-5-17(13-21)22(27-12-9-20(28)16-27)23(24,18-6-3-10-25-14-18)19-7-4-11-26-15-19/h2-8,10-11,13-15,20,22,28H,9,12,16H2,1H3/t20-,22?/m1/s1
InChIKeyDZROTJZEHRKBCK-PSDZMVHGSA-N
MW393.46 g/mol
LogP3.51
Rot. Bonds6

About (3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol

(3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol (PubChem CID 57425757) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is (3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol
PubChem CID57425757
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name(3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol
SMILESCOc1cccc(C(N2CC[C@@H](O)C2)C(F)(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C23H24FN3O2/c1-29-21-8-2-5-17(13-21)22(27-12-9-20(28)16-27)23(24,18-6-3-10-25-14-18)19-7-4-11-26-15-19/h2-8,10-11,13-15,20,22,28H,9,12,16H2,1H3/t20-,22?/m1/s1
InChIKeyDZROTJZEHRKBCK-PSDZMVHGSA-N
XLogP3.51
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol
CID 66962343
2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide
CID 84750141
[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
CID 19979366
1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102956038
1-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 3638795
4-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium
CID 161055265
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 3968223
(3S,5R)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 100879883

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol (CID 57425757) is (3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol is COc1cccc(C(N2CC[C@@H](O)C2)C(F)(c2cccnc2)c2cccnc2)c1.
What is the InChIKey of (3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol?
The InChIKey is DZROTJZEHRKBCK-PSDZMVHGSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-29-21-8-2-5-17(13-21)22(27-12-9-20(28)16-27)23(24,18-6-3-10-25-14-18)19-7-4-11-26-15-19/h2-8,10-11,13-15,20,22,28H,9,12,16H2,1H3/t20-,22?/m1/s1.
What are the key properties of (3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol?
(3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol has a molecular weight of 393.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol is sourced from PubChem (CID 57425757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).