2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine

C14H18N4O2S — CID 110258914

IUPAC2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
SMILESCc1cc(C2CCCN(S(=O)(=O)c3cn[nH]c3)C2)ccn1
InChIInChI=1S/C14H18N4O2S/c1-11-7-12(4-5-15-11)13-3-2-6-18(10-13)21(19,20)14-8-16-17-9-14/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,16,17)
InChIKeyPGHVXPQZZZJIRE-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.68
Rot. Bonds3

About 2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine

2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine (PubChem CID 110258914) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
PubChem CID110258914
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
SMILESCc1cc(C2CCCN(S(=O)(=O)c3cn[nH]c3)C2)ccn1
InChIInChI=1S/C14H18N4O2S/c1-11-7-12(4-5-15-11)13-3-2-6-18(10-13)21(19,20)14-8-16-17-9-14/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,16,17)
InChIKeyPGHVXPQZZZJIRE-UHFFFAOYSA-N
XLogP1.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[8-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
CID 25127876
(4R,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890880
(4S,6R)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890881
(4S,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890882
(4R,6R)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890883
4'-Cyclopropyl-7',7'-difluoro-5'-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-1',4',5',7'-tetrahydro spiro[cyclopropane-1,6'-pyrazolo[4,3-C]pyridine] (enantiomeric mix)
CID 46891052
4-(3-(4-chlorophenyl)-5-(1-(methylsulfonyl)piperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037702
4-Methyl-5-(pyridin-2-ylsulfonyl)-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline
CID 24864341
4-Methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864527
N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine
CID 25002636
10-(3-Fluorophenyl)-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 45279510
4-[3-(Piperidin-4-yl)-1H-pyrazol-5-yl]pyridine
CID 46937430

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine?
The IUPAC name of 2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine (CID 110258914) is 2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine.
What is the SMILES notation for 2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine?
The canonical SMILES for 2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine is Cc1cc(C2CCCN(S(=O)(=O)c3cn[nH]c3)C2)ccn1.
What is the InChIKey of 2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine?
The InChIKey is PGHVXPQZZZJIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-11-7-12(4-5-15-11)13-3-2-6-18(10-13)21(19,20)14-8-16-17-9-14/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,16,17).
What are the key properties of 2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine?
2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine has a molecular weight of 306.39 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine is sourced from PubChem (CID 110258914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).