[3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone

C25H24FN3O2 — CID 166004515

IUPAC[3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ccc(F)cn1)N1CCC(c2cnc(-c3ccccc3C3CC3)cc2CO)C1
InChIInChI=1S/C25H24FN3O2/c26-19-7-8-23(27-12-19)25(31)29-10-9-17(14-29)22-13-28-24(11-18(22)15-30)21-4-2-1-3-20(21)16-5-6-16/h1-4,7-8,11-13,16-17,30H,5-6,9-10,14-15H2
InChIKeyQBXVOZGEXXDNHE-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.28
Rot. Bonds5

About [3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone

[3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone (PubChem CID 166004515) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is [3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
PubChem CID166004515
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name[3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ccc(F)cn1)N1CCC(c2cnc(-c3ccccc3C3CC3)cc2CO)C1
InChIInChI=1S/C25H24FN3O2/c26-19-7-8-23(27-12-19)25(31)29-10-9-17(14-29)22-13-28-24(11-18(22)15-30)21-4-2-1-3-20(21)16-5-6-16/h1-4,7-8,11-13,16-17,30H,5-6,9-10,14-15H2
InChIKeyQBXVOZGEXXDNHE-UHFFFAOYSA-N
XLogP4.28
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 156814637
[3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 166004214
[3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 166004552
CID 167589546
CID 167589546
[3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)-6-methylphenyl]pyrrolidin-1-yl]-(5-hydroxy-6-methyl-2-pyridinyl)methanone
CID 166004302
[(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 167649744
[5-(2-cyclopropylphenyl)-3-hydroxy-3-methylspiro[2H-indene-1,3'-pyrrolidine]-1'-yl]-(5-fluoro-2-pyridinyl)methanone
CID 171559562
(3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 104643088
1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 113435785
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104643097
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077

Frequently Asked Questions

What is the IUPAC name of [3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of [3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone (CID 166004515) is [3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for [3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for [3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone is O=C(c1ccc(F)cn1)N1CCC(c2cnc(-c3ccccc3C3CC3)cc2CO)C1.
What is the InChIKey of [3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is QBXVOZGEXXDNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c26-19-7-8-23(27-12-19)25(31)29-10-9-17(14-29)22-13-28-24(11-18(22)15-30)21-4-2-1-3-20(21)16-5-6-16/h1-4,7-8,11-13,16-17,30H,5-6,9-10,14-15H2.
What are the key properties of [3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
[3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 417.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 166004515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).