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

C16H20N4O3S — CID 118741501

IUPAC(3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cccnc1C(=O)N1CCCCC1c1[nH]ncc1S(C)(=O)=O
InChIInChI=1S/C16H20N4O3S/c1-11-6-5-8-17-14(11)16(21)20-9-4-3-7-12(20)15-13(10-18-19-15)24(2,22)23/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyMYRRDIKKHVTGSX-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.88
Rot. Bonds3

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

(3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 118741501) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID118741501
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name(3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cccnc1C(=O)N1CCCCC1c1[nH]ncc1S(C)(=O)=O
InChIInChI=1S/C16H20N4O3S/c1-11-6-5-8-17-14(11)16(21)20-9-4-3-7-12(20)15-13(10-18-19-15)24(2,22)23/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyMYRRDIKKHVTGSX-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

(4R,6S)-4,6-diethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891578
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
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
1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 165415024
1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 165415027
N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 46889200
(4R,6S)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891521
(4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891575
N-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934738
N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935413
N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 71726627

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 118741501) is (3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1cccnc1C(=O)N1CCCCC1c1[nH]ncc1S(C)(=O)=O.
What is the InChIKey of (3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is MYRRDIKKHVTGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11-6-5-8-17-14(11)16(21)20-9-4-3-7-12(20)15-13(10-18-19-15)24(2,22)23/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,18,19).
What are the key properties of (3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(3-methyl-2-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 (3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118741501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).