(2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone

C25H25FN2O3 — CID 156814767

IUPAC(2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone
SMILESCCc1ccccc1C(=O)c1ccc(N2CCC(Oc3ncccc3F)C2)c(CO)c1
InChIInChI=1S/C25H25FN2O3/c1-2-17-6-3-4-7-21(17)24(30)18-9-10-23(19(14-18)16-29)28-13-11-20(15-28)31-25-22(26)8-5-12-27-25/h3-10,12,14,20,29H,2,11,13,15-16H2,1H3
InChIKeyGFZGCUCCXFTUGG-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.16
Rot. Bonds7

About (2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone

(2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone (PubChem CID 156814767) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is (2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone
PubChem CID156814767
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name(2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone
SMILESCCc1ccccc1C(=O)c1ccc(N2CCC(Oc3ncccc3F)C2)c(CO)c1
InChIInChI=1S/C25H25FN2O3/c1-2-17-6-3-4-7-21(17)24(30)18-9-10-23(19(14-18)16-29)28-13-11-20(15-28)31-25-22(26)8-5-12-27-25/h3-10,12,14,20,29H,2,11,13,15-16H2,1H3
InChIKeyGFZGCUCCXFTUGG-UHFFFAOYSA-N
XLogP4.16
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone?
The IUPAC name of (2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone (CID 156814767) is (2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone.
What is the SMILES notation for (2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone?
The canonical SMILES for (2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone is CCc1ccccc1C(=O)c1ccc(N2CCC(Oc3ncccc3F)C2)c(CO)c1.
What is the InChIKey of (2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone?
The InChIKey is GFZGCUCCXFTUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-2-17-6-3-4-7-21(17)24(30)18-9-10-23(19(14-18)16-29)28-13-11-20(15-28)31-25-22(26)8-5-12-27-25/h3-10,12,14,20,29H,2,11,13,15-16H2,1H3.
What are the key properties of (2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone?
(2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone has a molecular weight of 420.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanone is sourced from PubChem (CID 156814767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).