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

C16H20N4O3S — CID 118740339

IUPAC(6-methyl-3-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCCC2c2[nH]ncc2S(C)(=O)=O)cn1
InChIInChI=1S/C16H20N4O3S/c1-11-6-7-12(9-17-11)16(21)20-8-4-3-5-13(20)15-14(10-18-19-15)24(2,22)23/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyRSBKUUIUFSFXIO-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.88
Rot. Bonds3

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

(6-methyl-3-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 118740339) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID118740339
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name(6-methyl-3-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCCC2c2[nH]ncc2S(C)(=O)=O)cn1
InChIInChI=1S/C16H20N4O3S/c1-11-6-7-12(9-17-11)16(21)20-8-4-3-5-13(20)15-14(10-18-19-15)24(2,22)23/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyRSBKUUIUFSFXIO-UHFFFAOYSA-N
XLogP1.88
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 44222483
1-[(3-Methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
CID 122186077
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione
CID 24995075
N-(4-(phenylsulfonyl)benzyl)-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 68277348
N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 118160922
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-4-(isopropyl-amino)-N-(3-(methylsulfonyl)propyl) nicotinamide
CID 138704648
7-(5-(((1,1-Dioxidotetra-hydrothiophen-3-yl)methyl)carbamoyl)-4-(isopropylamino)pyridin-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 135307851
7-(5-(((1,1-Dioxidothietan-3-yl)methyl)carbamoyl)-4-(isopropylamino)pyridin-2-yl)pyrrolo[1,2-b] pyridazine-3-carboxamide
CID 138703529
7-(5-((1,1-Dioxidothietan-3-yl)carbamoyl)-4-(isopropyl-amino)pyridin-2-yl)pyrrolo[1,2-b] pyridazine-3-carboxamide
CID 138703966
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-4-(isopropylamino)-N-(2-(methylsulfonyl)ethyl) nicotinamide
CID 138704695
6-[3-(4-Methylpyrazol-1-yl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 53567569
N-(2-fluorophenyl)-3-(1-(2-(methylthio)nicotinoyl)piperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 91628931

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 118740339) is (6-methyl-3-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCCC2c2[nH]ncc2S(C)(=O)=O)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is RSBKUUIUFSFXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11-6-7-12(9-17-11)16(21)20-8-4-3-5-13(20)15-14(10-18-19-15)24(2,22)23/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of (6-methyl-3-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(6-methyl-3-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 348.43 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118740339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).