(2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C20H22N4OS — CID 126788105

IUPAC(2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1nc(-c2ccsc2)ccc1C(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C20H22N4OS/c1-15-18(3-4-19(22-15)17-7-12-26-14-17)20(25)23-10-5-16(6-11-23)13-24-9-2-8-21-24/h2-4,7-9,12,14,16H,5-6,10-11,13H2,1H3
InChIKeyLFUGKUUTDZGKCA-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.87
Rot. Bonds4

About (2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

(2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 126788105) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is (2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID126788105
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name(2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1nc(-c2ccsc2)ccc1C(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C20H22N4OS/c1-15-18(3-4-19(22-15)17-7-12-26-14-17)20(25)23-10-5-16(6-11-23)13-24-9-2-8-21-24/h2-4,7-9,12,14,16H,5-6,10-11,13H2,1H3
InChIKeyLFUGKUUTDZGKCA-UHFFFAOYSA-N
XLogP3.87
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride
CID 119644492
[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
CID 126779126
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
CID 119635243
(3-hydroxypiperidin-1-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
CID 110922130
(2-methylsulfanylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494929
1,4-diazepan-1-yl-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride
CID 119414456
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
(2-bromophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494885
(4-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883923
(2-aminophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119947130
(2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 120537434
(5-methyl-1-phenylpyrazol-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495061

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 126788105) is (2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of (2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is LFUGKUUTDZGKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-15-18(3-4-19(22-15)17-7-12-26-14-17)20(25)23-10-5-16(6-11-23)13-24-9-2-8-21-24/h2-4,7-9,12,14,16H,5-6,10-11,13H2,1H3.
What are the key properties of (2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
(2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 366.49 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126788105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).