[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone

C20H19FN4O2 — CID 119067847

IUPAC[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1F)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C20H19FN4O2/c21-16-6-2-1-5-14(16)18-15(13-23-24-18)19(26)25-11-8-20(27,9-12-25)17-7-3-4-10-22-17/h1-7,10,13,27H,8-9,11-12H2,(H,23,24)
InChIKeyOJZIXOGKVWWAKT-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.73
Rot. Bonds3

About [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone

[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 119067847) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID119067847
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1F)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C20H19FN4O2/c21-16-6-2-1-5-14(16)18-15(13-23-24-18)19(26)25-11-8-20(27,9-12-25)17-7-3-4-10-22-17/h1-7,10,13,27H,8-9,11-12H2,(H,23,24)
InChIKeyOJZIXOGKVWWAKT-UHFFFAOYSA-N
XLogP2.73
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10239838, Example 61
CID 121413926
US10239838, Example 13
CID 121414019
3-{4-[3-(4-Fluorophenyl)-1H-pyrazol-5-YL]piperidine-1-carbonyl}pyridine
CID 53185326
2-(5-Methyl-2-{(3R,6R)-6-methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-2H-1,2,3-triazol-4-yl)propan-2-ol
CID 121314104
2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol
CID 121314181
US10239838, Example 48
CID 121413964
US10239838, Example 37
CID 121413986
US10239838, Example 4
CID 121413999
US10239838, Example 53
CID 121414034
US10239838, Example 12
CID 121414049
US10155750, Example 31
CID 121440244
US10617680, Example 227
CID 135355378

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone (CID 119067847) is [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone is O=C(c1cn[nH]c1-c1ccccc1F)N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is OJZIXOGKVWWAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-6-2-1-5-14(16)18-15(13-23-24-18)19(26)25-11-8-20(27,9-12-25)17-7-3-4-10-22-17/h1-7,10,13,27H,8-9,11-12H2,(H,23,24).
What are the key properties of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 366.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 119067847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).