(5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone

C22H20FN3O2 — CID 156815465

IUPAC(5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)cn1)N1CCC(c2ccc(-c3ccccc3)nc2CO)C1
InChIInChI=1S/C22H20FN3O2/c23-17-6-8-20(24-12-17)22(28)26-11-10-16(13-26)18-7-9-19(25-21(18)14-27)15-4-2-1-3-5-15/h1-9,12,16,27H,10-11,13-14H2
InChIKeyRJSGYJVMFRBXFK-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.40
Rot. Bonds4

About (5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone

(5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 156815465) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID156815465
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name(5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)cn1)N1CCC(c2ccc(-c3ccccc3)nc2CO)C1
InChIInChI=1S/C22H20FN3O2/c23-17-6-8-20(24-12-17)22(28)26-11-10-16(13-26)18-7-9-19(25-21(18)14-27)15-4-2-1-3-5-15/h1-9,12,16,27H,10-11,13-14H2
InChIKeyRJSGYJVMFRBXFK-UHFFFAOYSA-N
XLogP3.40
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone (CID 156815465) is (5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone is O=C(c1ccc(F)cn1)N1CCC(c2ccc(-c3ccccc3)nc2CO)C1.
What is the InChIKey of (5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is RJSGYJVMFRBXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-17-6-8-20(24-12-17)22(28)26-11-10-16(13-26)18-7-9-19(25-21(18)14-27)15-4-2-1-3-5-15/h1-9,12,16,27H,10-11,13-14H2.
What are the key properties of (5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone?
(5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 377.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 156815465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).