[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

C21H21FN4O2 — CID 70755834

IUPAC[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2F)n[nH]1)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C21H21FN4O2/c22-18-8-2-1-7-17(18)19-11-20(25-24-19)21(27)26-10-4-6-16(13-26)28-14-15-5-3-9-23-12-15/h1-3,5,7-9,11-12,16H,4,6,10,13-14H2,(H,24,25)
InChIKeyWFQPCXMHZYZTBC-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.43
Rot. Bonds5

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

[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 70755834) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
PubChem CID70755834
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2F)n[nH]1)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C21H21FN4O2/c22-18-8-2-1-7-17(18)19-11-20(25-24-19)21(27)26-10-4-6-16(13-26)28-14-15-5-3-9-23-12-15/h1-3,5,7-9,11-12,16H,4,6,10,13-14H2,(H,24,25)
InChIKeyWFQPCXMHZYZTBC-UHFFFAOYSA-N
XLogP3.43
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-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

(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 96577943
1-(4-fluorophenyl)-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]butane-1,4-dione
CID 70722359
[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 96582328
2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97147487
(5-cyclohexyl-1H-pyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70759901
(2-methoxy-4-pyridinyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70710793
(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844111
(5-fluoro-2-methylphenyl)-[(3S)-3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]methanone
CID 96529742
2,1-benzoxazol-3-yl-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 95207327
(2-morpholin-4-ylphenyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131916218
2-phenylsulfanyl-1-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580928
2-phenylsulfanyl-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580927

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (CID 70755834) is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCCC(OCc2cccnc2)C1.
What is the InChIKey of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is WFQPCXMHZYZTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-18-8-2-1-7-17(18)19-11-20(25-24-19)21(27)26-10-4-6-16(13-26)28-14-15-5-3-9-23-12-15/h1-3,5,7-9,11-12,16H,4,6,10,13-14H2,(H,24,25).
What are the key properties of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 380.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 70755834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).