[2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C20H19FN4O — CID 110254646

IUPAC[2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCCC1c1cccc(Cc2cccc(F)c2)n1
InChIInChI=1S/C20H19FN4O/c21-15-5-1-4-14(12-15)13-16-6-2-7-17(23-16)19-8-3-11-25(19)20(26)18-9-10-22-24-18/h1-2,4-7,9-10,12,19H,3,8,11,13H2,(H,22,24)
InChIKeyNIUCIKJLTCIUAU-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.51
Rot. Bonds4

About [2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 110254646) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is [2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID110254646
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name[2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCCC1c1cccc(Cc2cccc(F)c2)n1
InChIInChI=1S/C20H19FN4O/c21-15-5-1-4-14(12-15)13-16-6-2-7-17(23-16)19-8-3-11-25(19)20(26)18-9-10-22-24-18/h1-2,4-7,9-10,12,19H,3,8,11,13H2,(H,22,24)
InChIKeyNIUCIKJLTCIUAU-UHFFFAOYSA-N
XLogP3.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 110254646) is [2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCCC1c1cccc(Cc2cccc(F)c2)n1.
What is the InChIKey of [2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is NIUCIKJLTCIUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-15-5-1-4-14(12-15)13-16-6-2-7-17(23-16)19-8-3-11-25(19)20(26)18-9-10-22-24-18/h1-2,4-7,9-10,12,19H,3,8,11,13H2,(H,22,24).
What are the key properties of [2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 350.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110254646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).