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

C20H19FN4O — CID 110249747

IUPAC[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCCC(c2cccc(-c3ccccc3F)n2)C1
InChIInChI=1S/C20H19FN4O/c21-16-7-2-1-6-15(16)18-9-3-8-17(23-18)14-5-4-12-25(13-14)20(26)19-10-11-22-24-19/h1-3,6-11,14H,4-5,12-13H2,(H,22,24)
InChIKeyYDXJLXQSBGDUMP-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.63
Rot. Bonds3

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

[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 110249747) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is [3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID110249747
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCCC(c2cccc(-c3ccccc3F)n2)C1
InChIInChI=1S/C20H19FN4O/c21-16-7-2-1-6-15(16)18-9-3-8-17(23-18)14-5-4-12-25(13-14)20(26)19-10-11-22-24-19/h1-3,6-11,14H,4-5,12-13H2,(H,22,24)
InChIKeyYDXJLXQSBGDUMP-UHFFFAOYSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrazol-5-yl-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810136
2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249315
[(3S)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95838490
2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258535
1-[(3S)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809900
[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110255383
[3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110255118
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95838924
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95819254
[(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 125017315
[(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 129454658
[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110249761

Frequently Asked Questions

What is the IUPAC name of [3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 110249747) is [3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCCC(c2cccc(-c3ccccc3F)n2)C1.
What is the InChIKey of [3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is YDXJLXQSBGDUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-7-2-1-6-15(16)18-9-3-8-17(23-18)14-5-4-12-25(13-14)20(26)19-10-11-22-24-19/h1-3,6-11,14H,4-5,12-13H2,(H,22,24).
What are the key properties of [3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 350.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110249747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).