[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

C22H24N4O2 — CID 95810095

IUPAC[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCOc1ccc(-c2cccc([C@@H]3CCCN(C(=O)c4cn[nH]c4C)C3)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-19(13-23-25-15)22(27)26-12-4-5-17(14-26)21-7-3-6-20(24-21)16-8-10-18(28-2)11-9-16/h3,6-11,13,17H,4-5,12,14H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeyHYJWWVFPGSCDLA-QGZVFWFLSA-N
MW376.46 g/mol
LogP3.81
Rot. Bonds4

About [(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (PubChem CID 95810095) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
PubChem CID95810095
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCOc1ccc(-c2cccc([C@@H]3CCCN(C(=O)c4cn[nH]c4C)C3)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-19(13-23-25-15)22(27)26-12-4-5-17(14-26)21-7-3-6-20(24-21)16-8-10-18(28-2)11-9-16/h3,6-11,13,17H,4-5,12,14H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeyHYJWWVFPGSCDLA-QGZVFWFLSA-N
XLogP3.81
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-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

[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 110249739
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958
(4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95791894
2-(dimethylamino)-1-[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810457
2-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258537
1-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809337
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 110091836
2-(4-fluorophenyl)-1-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249679
1-[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809899
2-(4-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249260
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489278
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 95819245

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (CID 95810095) is [(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)c4cn[nH]c4C)C3)n2)cc1.
What is the InChIKey of [(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The InChIKey is HYJWWVFPGSCDLA-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-19(13-23-25-15)22(27)26-12-4-5-17(14-26)21-7-3-6-20(24-21)16-8-10-18(28-2)11-9-16/h3,6-11,13,17H,4-5,12,14H2,1-2H3,(H,23,25)/t17-/m1/s1.
What are the key properties of [(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 95810095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).